{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.45864e-10 0.0 0.0 ] "source-value" [ 5.45864 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.03818e-11 5.388390000000001e-10 0.0 ] "source-value" [ 0.103818 5.38839 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.13176e-11 7.05962e-12 5.39093e-10 ] "source-value" [ 0.113176 0.0705962 5.39093 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 6.009629921784653e-10 -2.63964526330297e-10 -8.687041692393121e-10 ] [ -3.485519857654841e-09 -2.658189656600419e-09 3.379794145060194e-09 ] [ 1.539569005859647e-09 -2.46532540282435e-09 4.113162294922867e-10 ] [ -3.936880569172078e-09 -3.45937666108026e-09 4.863535466785725e-09 ] [ 2.806891834436081e-09 3.670079549352317e-09 -4.519376232748553e-09 ] [ 5.205922052609645e-10 1.569948357419622e-09 1.951722052200977e-09 ] [ 3.162526177866747e-09 2.711452736617618e-09 -3.009561248913784e-09 ] [ -1.208141788774986e-09 8.953756034457696e-10 -2.208726242637533e-09 ] ] "source-value" [ [ 0.37509160000000014 -0.16475370000000003 -0.5422025000000001 ] [ -2.1754904000000006 -1.6591115000000005 2.1095016000000006 ] [ 0.9609234000000002 -1.5387351000000005 0.25672340000000005 ] [ -2.4572076000000003 -2.1591731000000003 3.0355801000000007 ] [ 1.7519241000000005 2.2906835000000005 -2.8207728000000003 ] [ 0.32492810000000005 0.9798847000000003 1.2181691000000001 ] [ 1.9738936000000005 1.6923557000000005 -1.8784204000000004 ] [ -0.7540628000000003 0.5588495000000001 -1.3785785000000002 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 4.32489e-14 -6.72518e-15 1.22781e-12 ] [ 1.51992e-10 1.38746e-10 1.2495e-10 ] [ 1.55886e-11 2.80678e-10 2.64329e-10 ] [ 1.56947e-10 4.13166e-10 3.92938e-10 ] [ 2.77407e-10 -2.90867e-12 2.65575e-10 ] [ 4.2526e-10 1.27774e-10 3.82666e-10 ] [ 2.78396e-10 2.65139e-10 -8.71139e-12 ] [ 4.18696e-10 3.99308e-10 1.34271e-10 ] ] "source-value" [ [ 0.000432489 -6.72518e-05 0.0122781 ] [ 1.51992 1.38746 1.2495 ] [ 0.155886 2.80678 2.64329 ] [ 1.56947 4.13166 3.92938 ] [ 2.77407 -0.0290867 2.65575 ] [ 4.2526 1.27774 3.82666 ] [ 2.78396 2.65139 -0.0871139 ] [ 4.18696 3.99308 1.34271 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -1.022794306833062e-17 "source-value" -63.8378 } }