{ "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" [ 5.43103 0 0 ] "si-unit" "m" "si-value" [ 5.43103e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00138287 5.43667 0 ] "si-unit" "m" "si-value" [ 1.38287e-13 5.43667e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0279747 -0.147199 5.47761 ] "si-unit" "m" "si-value" [ -2.79747e-12 -1.47199e-11 5.477610000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0723979 0.065909 0.162895 ] [ 1.32756 1.26807 1.42197 ] [ -0.0160699 2.71544 2.70238 ] [ 1.33005 4.08077 4.07687 ] [ 2.7682 0.027954 2.60436 ] [ 4.1716 1.44154 4.20195 ] [ 2.84836 2.7461 0.066427 ] [ 4.17903 4.06877 1.34805 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -7.239790000000001e-12 6.5909e-12 1.62895e-11 ] [ 1.32756e-10 1.26807e-10 1.42197e-10 ] [ -1.60699e-12 2.71544e-10 2.70238e-10 ] [ 1.33005e-10 4.08077e-10 4.07687e-10 ] [ 2.7682e-10 2.7954e-12 2.60436e-10 ] [ 4.1716e-10 1.44154e-10 4.20195e-10 ] [ 2.84836e-10 2.7461e-10 6.6427e-12 ] [ 4.17903e-10 4.06877e-10 1.34805e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.7356808 0.2386912 -3.5155807 ] [ 0.7745087 2.3638303 -0.4086048 ] [ 1.3471924 -0.1142077 1.1468391 ] [ 0.752146 0.026603 0.4039621 ] [ 0.1533251 -1.2224601 2.7018343 ] [ -0.457668 -2.0232635 -1.057583 ] [ -2.3591279 0.7781623 -0.4539162 ] [ -1.9460571 -0.0473556 1.1830492 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.780867198931441e-09 3.824254602306969e-10 -5.632581206075699e-09 ] [ 1.240899731746201e-09 3.78727364219865e-09 -6.546570577066598e-10 ] [ 2.158440166999442e-09 -1.829809068553401e-10 1.837438793839313e-09 ] [ 1.205070736628237e-09 4.262270464314241e-11 6.472186323092717e-10 ] [ 2.456538906018221e-10 -1.95859699208083e-09 4.328815748735533e-09 ] [ -7.332649696882944e-10 -3.241625477417981e-09 -1.694434757155526e-09 ] [ -3.779739566857e-09 1.246753444247956e-09 -7.272539234423769e-10 ] [ -3.117927188361848e-09 -7.587203518395649e-11 1.895453769496143e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.562321 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.857929590838488e-18 } }