{ "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" [ 5.52526 0 0 ] "si-unit" "m" "si-value" [ 5.52526e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.163004 5.51064 0 ] "si-unit" "m" "si-value" [ 1.63004e-11 5.510640000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0929221 -0.0543858 5.47616 ] "si-unit" "m" "si-value" [ 9.29221e-12 -5.43858e-12 5.47616e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0515746 -0.0381365 -0.00729456 ] [ 1.44408 1.32704 1.45073 ] [ 0.0791767 2.70101 2.71983 ] [ 1.48556 4.06547 4.00394 ] [ 2.80111 0.011527 2.65388 ] [ 4.15958 1.27318 3.97985 ] [ 2.73428 2.80936 0.100172 ] [ 4.13679 4.02299 1.21489 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.15746e-12 -3.81365e-12 -7.29456e-13 ] [ 1.44408e-10 1.32704e-10 1.45073e-10 ] [ 7.917670000000001e-12 2.70101e-10 2.71983e-10 ] [ 1.48556e-10 4.06547e-10 4.00394e-10 ] [ 2.80111e-10 1.1527e-12 2.65388e-10 ] [ 4.15958e-10 1.27318e-10 3.97985e-10 ] [ 2.73428e-10 2.80936e-10 1.00172e-11 ] [ 4.136790000000001e-10 4.02299e-10 1.21489e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.3913258 0.3091849 -0.24295139999999996 ] [ -0.577954 0.4610513 -1.2941771999999998 ] [ -0.8896263 0.0410872 -0.4080255999999999 ] [ 1.0589538 0.2443765 0.4487892999999999 ] [ -0.4833717 -1.622043 0.3903126999999999 ] [ 0.7874892 0.8280269 1.7726463999999995 ] [ -0.7338576 -1.7713245 -2.3950826999999997 ] [ 2.2296923 1.5096407 1.7284883999999996 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.229149668675857e-09 4.953688182843859e-10 -3.892510530706291e-10 ] [ -9.259843866978431e-10 7.386856138494471e-10 -2.073500453012405e-09 ] [ -1.425338459108807e-09 6.582895125413376e-11 -6.537290770078923e-10 ] [ 1.696631020867319e-09 3.915343149729312e-10 7.190397241251973e-10 ] [ -7.744468368963514e-10 -2.598799372532294e-09 6.25349882741324e-10 ] [ 1.261696785372495e-09 1.3266453405735e-09 2.840092619025284e-09 ] [ -1.175769489716398e-09 -2.837974701750249e-09 -3.837345506822539e-09 ] [ 3.57236087463778e-09 2.418711035348147e-09 2.769343703803998e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -26.508088 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.247063885570903e-18 } }