{ "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" [ 5.45078 0 0 ] "si-unit" "m" "si-value" [ 5.45078e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.124172 5.56718 0 ] "si-unit" "m" "si-value" [ 1.24172e-11 5.56718e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0770044 0.0388551 5.42613 ] "si-unit" "m" "si-value" [ -7.70044e-12 3.88551e-12 5.42613e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.041219 -0.09108 -0.141264 ] [ 1.43794 1.32483 1.35293 ] [ -0.00716544 2.71531 2.76218 ] [ 1.33045 4.09617 4.06457 ] [ 2.76499 -0.0409375 2.74385 ] [ 3.91349 1.4388 4.06995 ] [ 2.74821 2.70058 0.127143 ] [ 4.06928 4.06454 1.39302 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.1219e-12 -9.108e-12 -1.41264e-11 ] [ 1.43794e-10 1.32483e-10 1.35293e-10 ] [ -7.165440000000001e-13 2.71531e-10 2.76218e-10 ] [ 1.33045e-10 4.09617e-10 4.06457e-10 ] [ 2.76499e-10 -4.09375e-12 2.74385e-10 ] [ 3.91349e-10 1.4388e-10 4.069950000000001e-10 ] [ 2.74821e-10 2.70058e-10 1.27143e-11 ] [ 4.06928e-10 4.06454e-10 1.39302e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.37082830000000006 0.4490219000000001 2.0512353000000005 ] [ -1.7582611000000004 -0.6400148000000001 0.3793800000000001 ] [ 0.048454400000000016 -0.29593200000000003 -0.5593145000000002 ] [ 0.9300837000000002 0.4060032000000001 -0.09199290000000002 ] [ -1.8007275000000005 -0.5989425000000002 0.005674700000000001 ] [ 1.6168922000000003 -0.6163504000000001 0.046795500000000004 ] [ -0.34663430000000006 0.4434181000000001 -1.4845379000000003 ] [ 1.6810209000000005 0.8527965000000002 -0.34724020000000005 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.941324325910087e-10 7.194123904071957e-10 3.286441241419675e-09 ] [ -2.817044827682092e-09 -1.025416749525988e-09 6.078337663991042e-10 ] [ 7.763250685489154e-11 -4.741353317465856e-10 -8.961206155744418e-10 ] [ 1.490158359527161e-09 6.504888350099868e-10 -1.473888736595924e-10 ] [ -2.885083500931633e-09 -9.596116707035042e-10 9.091871670053762e-12 ] [ 2.590546881193878e-09 -9.875022011007284e-10 7.497465605864641e-11 ] [ -5.553693714273736e-10 7.104341130595566e-10 -2.378491916071529e-09 ] [ 2.693292385056176e-09 1.366330614600068e-09 -5.563401302419162e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -36.069921 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.779038414030296e-18 } }