{ "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" [ 5.4238 0 0 ] "si-unit" "m" "si-value" [ 5.4238e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0012341 5.50722 0 ] "si-unit" "m" "si-value" [ -1.2341e-13 5.507220000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.00966142 -0.113973 5.43239 ] "si-unit" "m" "si-value" [ -9.661420000000001e-13 -1.13973e-11 5.43239e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0339885 -0.0385369 0.0299316 ] [ 1.35039 1.32575 1.36375 ] [ -0.105411 2.62445 2.64243 ] [ 1.34087 3.97443 4.1654 ] [ 2.65221 0.0889868 2.75972 ] [ 4.05512 1.26127 4.10909 ] [ 2.71709 2.70534 0.0564386 ] [ 4.05687 4.02913 1.37335 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -3.39885e-12 -3.85369e-12 2.99316e-12 ] [ 1.35039e-10 1.32575e-10 1.36375e-10 ] [ -1.05411e-11 2.62445e-10 2.64243e-10 ] [ 1.34087e-10 3.97443e-10 4.1654e-10 ] [ 2.652210000000001e-10 8.89868e-12 2.75972e-10 ] [ 4.05512e-10 1.26127e-10 4.10909e-10 ] [ 2.71709e-10 2.70534e-10 5.64386e-12 ] [ 4.05687e-10 4.02913e-10 1.37335e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.1667741 -0.3309792 -0.1876918 ] [ -0.1415228 -0.1545708 -0.2826214 ] [ 0.494807 0.5775789 0.8359969 ] [ 0.2252949 -0.034463 -1.1186216 ] [ -0.3865645 -1.64608 0.1883192 ] [ 0.8031673 -0.0816084 0.257975 ] [ -0.3741497 0.3439103 -0.3880051 ] [ -0.4542582 1.3262122 0.6946488 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.672015639749613e-10 -5.302871362110873e-10 -3.007154138758694e-10 ] [ -2.267445214701542e-10 -2.476497220183527e-10 -4.528093996177651e-10 ] [ 7.927682072081855e-10 9.253834102473811e-10 1.339414688241276e-09 ] [ 3.609622215654739e-10 -5.52158128826304e-11 -1.792229375041889e-09 ] [ -6.193446043312415e-10 -2.637310891966464e-09 3.017206194877593e-10 ] [ 1.28681587065106e-09 -1.307510705408947e-10 4.1332151375088e-10 ] [ -5.994539020193338e-10 5.510050423123143e-10 -6.216526999711661e-10 ] [ -7.278018678466905e-10 2.124826181059734e-09 1.112950067026775e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 150.04624 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.404005777669458e-17 } }