{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.39143 0 0 ] "si-unit" "m" "si-value" [ 5.39143e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.144963 5.17841 0 ] "si-unit" "m" "si-value" [ 1.44963e-11 5.178410000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.144779 0.421312 5.38784 ] "si-unit" "m" "si-value" [ -1.44779e-11 4.21312e-11 5.38784e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.15223 0.0692904 -0.00428898 ] [ 1.42734 1.24068 1.17973 ] [ -0.332931 2.76994 2.80275 ] [ 1.2591 4.25807 3.96691 ] [ 2.6931 0.104845 2.7319 ] [ 4.09744 1.52781 4.38962 ] [ 2.50984 2.47613 -0.202936 ] [ 4.16866 4.11218 1.07304 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5223e-11 6.929040000000001e-12 -4.288980000000001e-13 ] [ 1.42734e-10 1.24068e-10 1.17973e-10 ] [ -3.32931e-11 2.76994e-10 2.80275e-10 ] [ 1.2591e-10 4.25807e-10 3.96691e-10 ] [ 2.6931e-10 1.04845e-11 2.7319e-10 ] [ 4.09744e-10 1.52781e-10 4.38962e-10 ] [ 2.50984e-10 2.47613e-10 -2.02936e-11 ] [ 4.16866e-10 4.11218e-10 1.07304e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 17.4827696 -20.5773745 8.6577349 ] [ -3.5167459 4.2933231 11.2208799 ] [ 9.1433053 0.8138561 -2.8675325 ] [ -8.6540828 2.3494462 -3.4321326 ] [ 5.1273104 3.6540991 0.51034 ] [ -26.8464416 15.0285298 -21.0498168 ] [ 14.4203078 -0.096641 4.2642345 ] [ -7.1564228 -5.4652387 2.6962927 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.801048471995297e-08 -3.296858834134609e-08 1.387122044586422e-08 ] [ -5.634448062274254e-09 6.878661896360581e-09 1.797783144058464e-08 ] [ 1.464918998849673e-08 1.303941216115467e-09 -4.594293530884176e-09 ] [ -1.38653691366274e-08 3.764227773467401e-09 -5.498882611205519e-09 ] [ 8.214856850464696e-09 5.854512148106322e-09 8.176548166590721e-10 ] [ -4.301274108319254e-08 2.40783590905561e-08 -3.372552434908307e-08 ] [ 2.310388002189988e-08 -1.548359508107328e-10 6.832056821508777e-09 ] [ -1.146585329872007e-08 -8.756277672231385e-09 4.319937126773708e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -25.119843 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.024642517276653e-18 } }