{ "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" [ 5.48715 0 0 ] "si-unit" "m" "si-value" [ 5.48715e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0853536 5.45185 0 ] "si-unit" "m" "si-value" [ 8.53536e-12 5.45185e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0925937 0.0373061 5.50955 ] "si-unit" "m" "si-value" [ -9.25937e-12 3.73061e-12 5.50955e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.108625 -0.0346204 -0.093953 ] [ 1.31877 1.39109 1.34024 ] [ -0.0198257 2.75858 2.57664 ] [ 1.43337 4.133 3.94558 ] [ 2.6449 -0.0446732 2.70542 ] [ 4.12571 1.36749 4.0773 ] [ 2.7517 2.72879 0.0316261 ] [ 4.07324 4.11206 1.36119 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.08625e-11 -3.46204e-12 -9.3953e-12 ] [ 1.31877e-10 1.39109e-10 1.34024e-10 ] [ -1.98257e-12 2.75858e-10 2.57664e-10 ] [ 1.43337e-10 4.133e-10 3.94558e-10 ] [ 2.6449e-10 -4.467320000000001e-12 2.70542e-10 ] [ 4.12571e-10 1.36749e-10 4.0773e-10 ] [ 2.7517e-10 2.72879e-10 3.16261e-12 ] [ 4.07324e-10 4.11206e-10 1.36119e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.8772824 -0.2109543 0.1774766 ] [ 0.5785977 -0.6467191 -0.4722652 ] [ -0.2350292 -0.0582241 1.5384868 ] [ -1.1688227 -1.4328595 1.5022888 ] [ 1.1391992 1.9267015 -0.2633791 ] [ -0.5859728 0.3260575 -0.0961828 ] [ 0.3288449 -0.323897 -1.2725353 ] [ 0.8204654 0.419895 -1.1138898 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.405561362699441e-09 -3.379860503018262e-10 2.843488616017644e-10 ] [ 9.270157154261416e-10 -1.036158230781509e-09 -7.566522684913368e-10 ] [ -3.765582925477127e-10 -9.328529255567939e-11 2.464927602677431e-09 ] [ -1.872660419228792e-09 -2.295694010704923e-09 2.406932012879899e-09 ] [ 1.825198339711493e-09 3.086916123992751e-09 -4.219798399039493e-10 ] [ -9.38831928319555e-10 5.224017078404549e-10 -1.541018347526952e-10 ] [ 5.268676149900666e-10 -5.18940205222698e-10 -2.03882632360018e-09 ] [ 1.314530492885464e-09 6.7274595773343e-10 -1.784648210410933e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -26.19087707419016 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.196241127223375e-18 } }