{ "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" [ 5.44141 0 0 ] "si-unit" "m" "si-value" [ 5.441410000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0387259 5.36248 0 ] "si-unit" "m" "si-value" [ 3.87259e-12 5.36248e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.184794 -0.00314768 5.51994 ] "si-unit" "m" "si-value" [ -1.84794e-11 -3.14768e-13 5.51994e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.139299 -0.0133288 0.0135909 ] [ 1.42253 1.35934 1.29237 ] [ 0.0199653 2.64656 2.62294 ] [ 1.43068 4.14401 3.95964 ] [ 2.73386 -0.0804287 2.7169 ] [ 4.04879 1.39288 4.20461 ] [ 2.82765 2.77065 0.103593 ] [ 4.1636 4.04392 1.34337 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.39299e-11 -1.33288e-12 1.35909e-12 ] [ 1.42253e-10 1.35934e-10 1.29237e-10 ] [ 1.99653e-12 2.64656e-10 2.62294e-10 ] [ 1.43068e-10 4.14401e-10 3.95964e-10 ] [ 2.73386e-10 -8.042870000000001e-12 2.7169e-10 ] [ 4.04879e-10 1.39288e-10 4.20461e-10 ] [ 2.827650000000001e-10 2.77065e-10 1.03593e-11 ] [ 4.1636e-10 4.04392e-10 1.34337e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 4.6505151 0.5169581 -1.1350036999999997 ] [ -0.6243989 -1.1792669 0.5577332999999999 ] [ 0.651918 0.4806706 1.7540835999999997 ] [ -3.2931121 -2.8252433 3.2120553999999997 ] [ 1.6895631 3.4448905 -1.1693510999999999 ] [ -1.6816694 0.7774895 -1.8789098999999998 ] [ -0.5748545 -0.6582596 -3.0082349999999995 ] [ -0.8179611 -0.5572389 1.6676272999999997 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.450946629284172e-09 8.282581885770353e-10 -1.818476407643545e-09 ] [ -1.000397327875303e-09 -1.889393872429614e-09 8.93587261263712e-10 ] [ 1.044487786884012e-09 7.701192039707604e-10 2.810351758002602e-09 ] [ -5.27614725976267e-09 -4.526538800625052e-09 5.146280108993523e-09 ] [ 2.706978520488605e-09 5.519323065788577e-09 -1.873507009362197e-09 ] [ -2.694331418792799e-09 1.245675510080343e-09 -3.010345539171276e-09 ] [ -9.21018447849753e-10 -1.054648150226186e-09 -4.819723826580988e-09 ] [ -1.310518161940937e-09 -8.927951451358625e-10 2.671833494280507e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.29906 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.655532913416403e-18 } }