{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.05774e-09 0.0 0.0 ] "source-value" [ 10.5774 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -5.543500000000001e-10 9.41396e-10 0.0 ] "source-value" [ -5.5435 9.41396 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 6.4938e-12 4.67405e-12 1.04512e-09 ] "source-value" [ 0.064938 0.0467405 10.4512 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" 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-1.7308086 ] [ 8.8043935 8.4051422 1.1700076 ] [ -3.0238973 -0.3514874 -0.6379383 ] [ 0.3787909 -1.7319599 -1.8475442 ] [ -0.5120475 4.4077607 3.8165489 ] [ -2.3108088 1.3214185 0.9987058 ] [ 2.8414087 -0.3652019 -1.0452557 ] [ -0.413209 -1.2853572 0.2626825 ] [ 3.0869135 -2.4518665 0.1514743 ] [ 0.4668349 -2.5220883 -2.5858326 ] [ 2.3803246 1.6120782 1.2491026 ] [ -1.5427438 -0.8095444 -0.8044083 ] [ 1.705697 2.3250421 -0.0453137 ] [ -6.691713 0.8124029 -1.3187795 ] [ 0.2123498 -0.6176124 0.4175103 ] [ 10.3443575 21.7912123 3.5205059 ] [ 0.004847 -1.870611 -0.9672726 ] [ -0.9195123 -0.0908061 -1.2366376 ] [ 2.1517377 -0.3870425 -2.2997704 ] [ 0.983429 3.7735687 -0.7169392 ] [ 0.1684054 2.8822529 -0.4050511 ] [ 3.1219168 1.1455466 0.3464904 ] [ -4.1255946 -4.6939469 0.4433131 ] [ 1.0983429 -1.47589 -0.0361133 ] [ 0.663628 -1.8223004 -5.7933832 ] [ -1.7136141 -0.8165083 3.7929091 ] [ 0.5284888 -1.9267095 1.9491568 ] [ 0.3384861 0.4438437 -1.9852541 ] [ 0.19052 0.7580078 1.8055386 ] [ 8.3782233 4.8441939 0.5703182 ] [ -10.8563786 2.432715 -1.3565918 ] [ 4.690765 4.0310677 -12.487169 ] [ -2.229707 -1.7804867 17.4807362 ] [ 1.2677766 -1.5717987 0.4662675 ] [ 0.4997281 0.8789355 -2.6191435 ] [ 0.7979194 1.8170436 -0.0651027 ] [ -0.6334334 1.7202448 1.1958668 ] [ 0.1870086 1.1039781 -1.2568222 ] [ -0.9061353 2.1304768 0.3102826 ] [ -1.1529675 -0.9870996 -0.8804608 ] [ -0.1742489 -1.6827563 0.9982859 ] [ 0.886178 -4.6040751 0.0792562 ] [ 4.4927702 4.9146138 1.1933242 ] [ -0.5878343 1.4068986 -1.7019116 ] [ -0.8773963 0.5231422 -0.5498312 ] [ 0.5953157 -27.0732514 -1.540874 ] [ 9.3754533 0.3999499 3.4154911 ] [ 1.4196211 -1.3613807 -0.8684709 ] [ -3.1103059 -1.7169786 2.2597128 ] [ -11.6619724 19.3050631 0.9819749 ] [ 0.9867973 -2.9403682 -1.7061339 ] [ -1.6303682 0.3103811 -0.8024408 ] [ 0.2464416 -1.7816816 2.2317266 ] [ -0.5892046 0.1473135 0.0954439 ] [ -3.6542299 -1.0557245 -2.9758729 ] [ 0.0629196 -3.1802037 0.1092133 ] [ -1.9039928 0.0758875 1.0576764 ] [ 0.0179943 -3.2041897 -1.2306273 ] [ -1.4427501 -2.6854603 0.616906 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 2.36369e-11 2.6893e-11 3.12575e-11 ] [ -4.6845700000000004e-11 -5.5153300000000005e-12 2.71797e-10 ] [ 1.55919e-11 9.258800000000001e-12 5.15124e-10 ] [ -1.8440999999999998e-12 9.29563e-12 7.822730000000001e-10 ] [ -1.5547700000000002e-10 1.97581e-10 -2.67213e-11 ] [ -1.04358e-10 2.17509e-10 2.2126600000000002e-10 ] [ -1.4028400000000001e-10 2.08288e-10 5.10665e-10 ] [ -1.5319300000000002e-10 2.47262e-10 7.672320000000001e-10 ] [ -2.5255700000000003e-10 4.36371e-10 -6.87127e-12 ] [ -2.6316799999999996e-10 4.78588e-10 2.11088e-10 ] [ -2.8285e-10 4.663870000000001e-10 4.81651e-10 ] [ -2.43747e-10 4.62598e-10 7.37597e-10 ] [ -4.0326300000000004e-10 6.85233e-10 1.29409e-12 ] [ -3.84994e-10 6.83623e-10 2.55746e-10 ] [ -3.9877800000000003e-10 6.955460000000001e-10 5.089750000000001e-10 ] [ -4.04437e-10 7.153450000000001e-10 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