{ "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" [ [ -1.4621216 0.5408022 0.04541499999999999 ] [ -0.8703575 0.496945 -1.7730626999999997 ] [ -0.9449251 0.2670972 -0.31744249999999996 ] [ 1.1535274 0.0470971 0.2519778999999999 ] [ -0.2914261 -1.9444626 0.6498530999999999 ] [ 0.8279591 0.8568825 1.8598497999999997 ] [ -1.1623107 -2.1847355 -2.8651793999999997 ] [ 2.7496546 1.9203739 2.1485887999999997 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.342577044286689e-09 8.664606413172058e-10 7.276285123363198e-11 ] [ -1.394466438237936e-09 7.96193660823456e-10 -2.840759605152524e-09 ] [ -1.513936903627102e-09 4.279368893211417e-10 -5.085989519483039e-10 ] [ 1.84815463173221e-09 7.545787252747969e-11 4.037131003382802e-10 ] [ -4.669160841109229e-10 -3.115372517739982e-09 1.041179443774404e-09 ] [ 1.326536712998609e-09 1.372877108272656e-09 2.979807867759555e-09 ] [ -1.862227029645683e-09 -3.500332140731798e-09 -4.590523449077771e-09 ] [ 4.405432315395176e-09 3.076778165774517e-09 3.442418743072727e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.96648 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.762465338847078e-18 } }