{ "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" [ 5.45158 0 0 ] "si-unit" "m" "si-value" [ 5.45158e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0257054 5.42445 0 ] "si-unit" "m" "si-value" [ -2.57054e-12 5.424450000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0529382 0.0294769 5.34001 ] "si-unit" "m" "si-value" [ -5.29382e-12 2.94769e-12 5.34001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0143981 -0.000418648 -0.00412545 ] [ 1.32176 1.3194 1.55836 ] [ -0.0742391 2.6807 2.85755 ] [ 1.24493 4.07168 4.08922 ] [ 2.604 0.0471177 2.81384 ] [ 3.98318 1.33506 4.22092 ] [ 2.76065 2.8474 0.244257 ] [ 4.05568 4.10688 1.45974 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.43981e-12 -4.18648e-14 -4.12545e-13 ] [ 1.32176e-10 1.3194e-10 1.55836e-10 ] [ -7.42391e-12 2.6807e-10 2.85755e-10 ] [ 1.24493e-10 4.07168e-10 4.08922e-10 ] [ 2.604e-10 4.71177e-12 2.81384e-10 ] [ 3.98318e-10 1.33506e-10 4.22092e-10 ] [ 2.76065e-10 2.8474e-10 2.44257e-11 ] [ 4.05568e-10 4.10688e-10 1.45974e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.0038786 -0.413511 2.8513481 ] [ -0.8227882 1.7420668 -2.1496279 ] [ -0.7162098 -0.2303873 -0.689665 ] [ 1.2064424 0.0478827 0.7861228 ] [ 1.8340145 -1.4832118 0.689673 ] [ -0.6178478 1.6961182 -1.0766948 ] [ -2.1747035 -2.8418443 -1.8543321 ] [ 1.2872138 1.4828865 1.4431757 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.21420224143488e-12 -6.625176566436289e-10 4.5683632635825e-09 ] [ -1.318252017910115e-09 2.791098698831869e-09 -3.4440835647994e-09 ] [ -1.147494597147844e-09 -3.691211457892358e-10 -1.104965139184032e-09 ] [ 1.932933807621842e-09 7.671654248078016e-11 1.259507571237834e-09 ] [ 2.938415154108202e-09 -2.376367269654686e-09 1.104977956596998e-09 ] [ -9.899013003727142e-10 2.717480926153379e-09 -1.725055236296932e-09 ] [ -3.484259104871933e-09 -4.553136497413742e-09 -2.970967537818967e-09 ] [ 2.062343856331127e-09 2.375846081599939e-09 2.312222366246675e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -37.020241 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.931296462658162e-18 } }