{ "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" [ 5.40884 0 0 ] "si-unit" "m" "si-value" [ 5.40884e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0760511 5.4684 0 ] "si-unit" "m" "si-value" [ 7.60511e-12 5.4684e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0640574 0.226818 5.41063 ] "si-unit" "m" "si-value" [ 6.40574e-12 2.26818e-11 5.41063e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00830896 0.0131794 0.144184 ] [ 1.38941 1.30499 1.31845 ] [ 0.000666759 2.66681 2.72971 ] [ 1.38566 4.09949 4.22322 ] [ 2.74889 -0.0321093 2.66684 ] [ 4.05308 1.21875 4.179 ] [ 2.6535 2.74282 -0.0977168 ] [ 4.21539 3.9917 1.44444 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -8.308960000000001e-13 1.31794e-12 1.44184e-11 ] [ 1.38941e-10 1.30499e-10 1.31845e-10 ] [ 6.667589999999999e-14 2.66681e-10 2.72971e-10 ] [ 1.38566e-10 4.099490000000001e-10 4.223220000000001e-10 ] [ 2.74889e-10 -3.21093e-12 2.66684e-10 ] [ 4.05308e-10 1.21875e-10 4.179e-10 ] [ 2.6535e-10 2.74282e-10 -9.771680000000001e-12 ] [ 4.21539e-10 3.9917e-10 1.44444e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.3652875 -1.9742004 -0.1600106 ] [ 0.4515518 0.9706859 0.7341354 ] [ 1.0392799 -0.9567559 1.5205873 ] [ -2.1716109 2.3990667 -2.9277512 ] [ -0.3572033 -0.4909215 0.9257075 ] [ -0.837405 2.0560686 -1.3449763 ] [ 3.0827241 -2.633614 2.5873278 ] [ -1.5726241 0.6296705 -1.33502 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.8525509237048e-10 -3.163017725654008e-09 -2.563652424001805e-10 ] [ 7.234657370401574e-10 1.555210255120207e-09 1.176214574381656e-09 ] [ 1.665109958247362e-09 -1.532891934792463e-09 2.436249421945396e-09 ] [ -3.479304213454447e-09 3.843728578479808e-09 -4.690774524159145e-09 ] [ -5.723027761326087e-10 -7.865429499480672e-10 1.483146914199216e-09 ] [ -1.341670713141024e-09 3.294185041680987e-09 -2.154889583390087e-09 ] [ 4.939068481396721e-09 -4.219514779011572e-09 4.145356111505899e-09 ] [ -2.519621566326641e-09 1.008843353907446e-09 -2.138937832300416e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.694326240654235 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.674725920278417e-18 } }