{ "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" [ [ -1.4621217 0.5408023 0.04541509999999999 ] [ -0.8703579 0.4969453 -1.7730631999999995 ] [ -0.9449253 0.2670973 -0.31744249999999996 ] [ 1.1535276 0.0470971 0.2519778999999999 ] [ -0.291426 -1.9444632 0.6498532999999999 ] [ 0.8279593 0.8568827 1.8598500999999996 ] [ -1.1623121 -2.1847367 -2.8651805999999995 ] [ 2.7496561 1.9203752 2.1485898999999997 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.342577204504352e-09 8.664608015348678e-10 7.276301145129407e-11 ] [ -1.394467079108584e-09 7.961941414764422e-10 -2.840760406240834e-09 ] [ -1.513937224062426e-09 4.279370495388038e-10 -5.085989519483039e-10 ] [ 1.848154952167534e-09 7.545787252747969e-11 4.037131003382802e-10 ] [ -4.669159238932608e-10 -3.115373479045955e-09 1.041179764209728e-09 ] [ 1.326537033433933e-09 1.37287742870798e-09 2.979808348412541e-09 ] [ -1.862229272692952e-09 -3.500334063343744e-09 -4.590525371689716e-09 ] [ 4.405434718660108e-09 3.076780248604125e-09 3.442420505467009e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.96648 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.762465338847078e-18 } }