{ "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" [ 5.54387 0 0 ] "si-unit" "m" "si-value" [ 5.543870000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0557634 5.4256 0 ] "si-unit" "m" "si-value" [ 5.57634e-12 5.4256e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.136783 0.0146252 5.57946 ] "si-unit" "m" "si-value" [ -1.36783e-11 1.46252e-12 5.57946e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00414448 -0.00753772 -0.01957 ] [ 1.42138 1.28295 1.34172 ] [ -0.029535 2.68233 2.78427 ] [ 1.30944 3.95933 4.27313 ] [ 2.73162 -0.0222546 2.83084 ] [ 4.1911 1.38332 4.19541 ] [ 2.73336 2.72737 0.0657353 ] [ 3.99828 4.07749 1.28506 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.14448e-13 -7.537720000000001e-13 -1.957e-12 ] [ 1.42138e-10 1.28295e-10 1.34172e-10 ] [ -2.9535e-12 2.68233e-10 2.78427e-10 ] [ 1.30944e-10 3.95933e-10 4.27313e-10 ] [ 2.73162e-10 -2.22546e-12 2.83084e-10 ] [ 4.1911e-10 1.38332e-10 4.19541e-10 ] [ 2.73336e-10 2.72737e-10 6.57353e-12 ] [ 3.99828e-10 4.07749e-10 1.28506e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.04562490000000001 -1.0242290000000003 0.4026016000000001 ] [ -0.8268489000000002 0.5583972000000001 1.1897667000000003 ] [ -0.10927470000000003 0.25312560000000006 -1.2098150000000003 ] [ -0.17979940000000003 1.6908775000000005 -1.4206426000000003 ] [ -0.3867236000000001 -0.35138090000000005 0.4702552000000001 ] [ -1.8823182000000005 0.35031350000000006 0.047838300000000014 ] [ 0.9973363000000002 -1.8860589000000005 -1.2280146000000003 ] [ 2.3420036000000004 0.4089550000000001 1.7480105000000004 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.30991487085866e-11 -1.640995771665186e-09 6.450388763310145e-10 ] [ -1.324757987428603e-09 8.94650946331025e-10 1.906216406651288e-09 ] [ -1.750773710273598e-10 4.055519217872305e-10 -1.93833732446271e-09 ] [ -2.880703974872196e-10 2.709084421456336e-09 -2.276120378985009e-09 ] [ -6.195995157363625e-10 -5.629742676138907e-10 7.534318934569968e-10 ] [ -3.015806237792939e-09 5.612641042747591e-10 7.664540647028221e-11 ] [ 1.597908916100014e-09 -3.021799499927743e-09 -1.967496298330857e-09 ] [ 3.752303444663882e-09 6.552181453574701e-10 2.800621579086658e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.66766129230348 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.554371687795487e-18 } }