{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.596447 0.5894877 3.838334 ] [ 1.369077 2.86119 3.866131 ] [ 2.011058 5.105046 2.796353 ] [ 3.116098 2.834339 2.386368 ] [ 3.638135 2.33604 4.892399 ] [ 3.921466 4.7829 1.89112 ] [ 5.122204 3.316972 3.335617 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.596447e-10 5.894877e-11 3.838334e-10 ] [ 1.369077e-10 2.86119e-10 3.866131e-10 ] [ 2.011058e-10 5.105046e-10 2.796353e-10 ] [ 3.116098e-10 2.834339e-10 2.386368e-10 ] [ 3.638135e-10 2.33604e-10 4.892399e-10 ] [ 3.921466e-10 4.7829e-10 1.89112e-10 ] [ 5.122204e-10 3.316972e-10 3.335617e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.3020237 -0.2458063 0.2231273 ] [ -0.2909345 -0.2313925 -0.0236091 ] [ -3.2611302 1.3367526 1.3143732 ] [ -3.6825843 -4.8269829 -0.4284624 ] [ 0.3928388 -0.17517 0.0884425 ] [ 3.9117164 4.1827232 -3.1190001 ] [ 3.2321177 -0.0401242 1.9451287 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.838953150542258e-10 -3.938251103499941e-10 3.574893464675082e-10 ] [ -4.661284579244729e-10 -3.70731656782845e-10 -3.782594836976939e-11 ] [ -5.224906606871746e-09 2.141713781158748e-09 2.105858029395808e-09 ] [ -5.900150518195245e-09 -7.733679215097557e-09 -6.864724458275616e-10 ] [ 6.293971462885991e-10 -2.8065328097778e-10 1.41700506952545e-10 ] [ 6.267260614914597e-09 6.701461377529708e-09 -4.997189081663663e-09 ] [ 5.178423457277821e-09 -6.428605569794279e-11 3.116439753262796e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.298369 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.970415944810994e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5881759 0.5831222 3.844958 ] [ 1.3571466 2.8547311 3.8684272 ] [ 1.9374641 5.1378426 2.8250889 ] [ 3.0387839 2.7274481 2.3724495 ] [ 3.6491635 2.3308927 4.893933 ] [ 4.008856 4.8741001 1.8226969 ] [ 5.1948951 3.3178378 3.3787685 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5881759e-10 5.831222e-11 3.844958e-10 ] [ 1.3571466e-10 2.8547311e-10 3.868427200000001e-10 ] [ 1.9374641e-10 5.1378426e-10 2.8250889e-10 ] [ 3.0387839e-10 2.7274481e-10 2.3724495e-10 ] [ 3.6491635e-10 2.3308927e-10 4.893933e-10 ] [ 4.008856e-10 4.8741001e-10 1.8226969e-10 ] [ 5.1948951e-10 3.3178378e-10 3.3787685e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.2431607 -0.1499697 0.2486724 ] [ -0.6762971 -0.2065321 0.3000388 ] [ -0.6645382 0.6106812 0.1496851 ] [ -0.1075759 -0.7744568 -0.5705328 ] [ 0.3540784 -0.1888371 -0.0435116 ] [ 0.6941835 0.4999024 -0.4029068 ] [ 0.64331 0.2092121 0.3185549 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.895863918470838e-10 -2.402779491479898e-10 3.984171088007015e-10 ] [ -1.083547411261961e-09 -3.309009047909513e-10 4.807151546533991e-10 ] [ -1.064707576440419e-09 9.784191494630807e-10 2.398219696779534e-10 ] [ -1.723555933615206e-10 -1.240816589002411e-09 -9.140943210905949e-10 ] [ 5.672961390841056e-10 -3.025503892523214e-10 -6.971326882795439e-11 ] [ 1.112204583408339e-09 8.009319445605216e-10 -6.455278606397112e-10 ] [ 1.03069625041854e-09 3.351947381700714e-10 5.103812174262064e-10 ] ] } "relaxed-potential-energy" { "source-value" -13.571472 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.174389532738525e-18 } }