{ "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" [ 5.46856 0 0 ] "si-unit" "m" "si-value" [ 5.46856e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.109414 5.47364 0 ] "si-unit" "m" "si-value" [ 1.09414e-11 5.47364e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0853482 0.188746 5.50226 ] "si-unit" "m" "si-value" [ 8.53482e-12 1.88746e-11 5.50226e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.111998 0.00598912 -0.142628 ] [ 1.42992 1.39997 1.14788 ] [ 0.0344059 2.83471 2.60329 ] [ 1.5648 4.17845 4.01026 ] [ 2.81953 0.00757671 2.62729 ] [ 4.17997 1.38562 3.91338 ] [ 2.81257 2.67111 -0.166315 ] [ 4.15871 3.96748 1.06238 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.11998e-11 5.98912e-13 -1.42628e-11 ] [ 1.42992e-10 1.39997e-10 1.14788e-10 ] [ 3.44059e-12 2.83471e-10 2.60329e-10 ] [ 1.5648e-10 4.17845e-10 4.01026e-10 ] [ 2.81953e-10 7.576710000000001e-13 2.62729e-10 ] [ 4.17997e-10 1.38562e-10 3.91338e-10 ] [ 2.81257e-10 2.67111e-10 -1.66315e-11 ] [ 4.15871e-10 3.96748e-10 1.06238e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.0124903 -0.8502708 -0.3621889 ] [ -0.1019701 -0.1678903 1.4633915 ] [ 0.8799132 -0.4580464 -0.2294752 ] [ -0.8083987 0.1467204 -0.6314519 ] [ -0.2291655 -0.221082 -1.2518039 ] [ 0.3438341 0.5110024 0.5849516 ] [ -0.0209754 -0.874888 -0.8932346 ] [ 0.9492528 1.9144546 1.3198114 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.622188287446778e-09 -1.362283997108913e-09 -5.802905878932691e-10 ] [ -1.633741102406381e-10 -2.689899135190982e-10 2.344611648377443e-09 ] [ 1.409776357373315e-09 -7.338712333216051e-10 -3.676598004934042e-10 ] [ -1.295197497425113e-09 2.350719946744243e-10 -1.011697471339739e-09 ] [ -3.671636063939424e-10 -3.542124116797056e-10 -2.005610942406261e-09 ] [ 5.508829564538092e-10 8.187160984526898e-10 9.371957778195534e-10 ] [ -3.360629549192832e-11 -1.40172509941847e-09 -1.43111959300964e-09 ] [ 1.520870643388938e-09 3.067294401703016e-09 2.114570968945317e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.509443240654235 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.80532206034008e-18 } }