{ "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" [ [ -1.2983494 0.2379347 -0.34313199999999994 ] [ -0.7777294 0.4875386 -1.5209669999999995 ] [ -0.7905279 0.0402451 -0.11514379999999998 ] [ 0.7488726 0.1298374 0.48129709999999987 ] [ -0.2069301 -1.6012591 0.5710279999999999 ] [ 0.8628568 0.7681783 1.5893980999999995 ] [ -0.9481869 -1.7793449 -2.4542323999999995 ] [ 2.4099944 1.7168698 1.7917519999999996 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.080185071447919e-09 3.812134167577998e-10 -5.497580727776879e-10 ] [ -1.24605987225484e-09 7.811229530930723e-10 -2.436857788485077e-09 ] [ -1.266565329905088e-09 6.44797588529934e-11 -1.844807059099691e-10 ] [ 1.199826181562828e-09 2.080224484993116e-10 7.711229676319611e-10 ] [ -3.315385710912834e-10 -2.565499914999869e-09 9.148877189597517e-10 ] [ 1.382449003448011e-09 1.230757323005842e-09 2.546496497943994e-09 ] [ -1.519162895844894e-09 -2.850824822607066e-09 -3.932113805685741e-09 ] [ 3.861236715750849e-09 2.750728677180253e-09 2.870703188322767e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.080843 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.780788358962246e-18 } }