{ "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" [ 5.5612 0 0 ] "si-unit" "m" "si-value" [ 5.5612e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0917257 5.43287 0 ] "si-unit" "m" "si-value" [ -9.17257e-12 5.432870000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0143429 0.0662566 5.45634 ] "si-unit" "m" "si-value" [ -1.43429e-12 6.62566e-12 5.45634e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00266051 0.00288647 -0.0538151 ] [ 1.22385 1.29926 1.47737 ] [ 0.0401458 2.69595 2.81688 ] [ 1.24418 4.12341 4.00905 ] [ 2.75119 0.03974 2.60779 ] [ 4.10264 1.45712 4.11323 ] [ 2.59294 2.8546 -0.123929 ] [ 4.00842 4.13916 1.33335 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -2.66051e-13 2.88647e-13 -5.38151e-12 ] [ 1.22385e-10 1.29926e-10 1.47737e-10 ] [ 4.01458e-12 2.69595e-10 2.81688e-10 ] [ 1.24418e-10 4.12341e-10 4.00905e-10 ] [ 2.75119e-10 3.974e-12 2.60779e-10 ] [ 4.10264e-10 1.45712e-10 4.11323e-10 ] [ 2.59294e-10 2.8546e-10 -1.23929e-11 ] [ 4.00842e-10 4.139160000000001e-10 1.33335e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.8265379999999999 0.0074307999999999996 0.3651846999999999 ] [ 0.8837298999999998 0.4049401999999999 -1.7666909999999998 ] [ -2.3305100999999997 -0.17544159999999998 -1.0449956999999999 ] [ 0.6248935999999999 2.1851099999999994 0.17222319999999997 ] [ 0.22023869999999998 0.26055599999999995 2.1088432999999998 ] [ -0.8061889999999999 -0.24712489999999998 -0.5158205999999999 ] [ 1.6958417999999997 -1.7506472999999998 1.6698859999999998 ] [ 0.5385330999999999 -0.6848231999999999 -0.9886298999999998 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.32425985980279e-09 1.190545403384064e-11 5.850903886138617e-10 ] [ 1.415891384881922e-09 6.48785721262076e-10 -2.830551016377773e-09 ] [ -3.73388879675827e-09 -2.810884298357452e-10 -1.67426767937653e-09 ] [ 1.001189916407547e-09 3.500932155876287e-09 2.759319845993625e-10 ] [ 3.528612961353849e-10 4.174567316091647e-10 3.37873943219072e-09 ] [ -1.291657167746131e-09 -3.959377371975379e-10 -8.264357058470283e-10 ] [ 2.717038084535389e-09 -2.804846175326644e-09 2.675452308601229e-09 ] [ 8.628251423469482e-10 -1.097207720421442e-09 -1.583959712403842e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.399223 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.511363086428564e-18 } }