{ "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" [ 5.54387 0 0 ] "si-unit" "m" "si-value" [ 5.543870000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0557634 5.4256 0 ] "si-unit" "m" "si-value" [ 5.57634e-12 5.4256e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.136783 0.0146252 5.57946 ] "si-unit" "m" "si-value" [ -1.36783e-11 1.46252e-12 5.57946e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00414448 -0.00753772 -0.01957 ] [ 1.42138 1.28295 1.34172 ] [ -0.029535 2.68233 2.78427 ] [ 1.30944 3.95933 4.27313 ] [ 2.73162 -0.0222546 2.83084 ] [ 4.1911 1.38332 4.19541 ] [ 2.73336 2.72737 0.0657353 ] [ 3.99828 4.07749 1.28506 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.14448e-13 -7.537720000000001e-13 -1.957e-12 ] [ 1.42138e-10 1.28295e-10 1.34172e-10 ] [ -2.9535e-12 2.68233e-10 2.78427e-10 ] [ 1.30944e-10 3.95933e-10 4.27313e-10 ] [ 2.73162e-10 -2.22546e-12 2.83084e-10 ] [ 4.1911e-10 1.38332e-10 4.19541e-10 ] [ 2.73336e-10 2.72737e-10 6.57353e-12 ] [ 3.99828e-10 4.07749e-10 1.28506e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.20492670000000004 -1.2863501000000002 0.3879149000000001 ] [ -1.1850252000000001 0.9063128000000003 1.6534144000000004 ] [ -0.0026839000000000003 0.12131400000000003 -1.1739797000000003 ] [ -0.3454960000000001 2.3458675000000007 -1.8253245000000005 ] [ -0.5174359000000001 -0.4105486000000001 0.24007050000000005 ] [ -2.4288376000000005 0.18071730000000003 -0.09103770000000001 ] [ 1.1353723000000002 -2.4388109000000004 -1.7006363000000004 ] [ 3.139179500000001 0.5814981000000001 2.5095784000000005 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.283287677176955e-10 -2.060960056383742e-09 6.215081836399701e-10 ] [ -1.898619670498844e-09 1.452073179291787e-09 2.64906189617406e-09 ] [ -4.30008183256512e-12 1.943664545757313e-10 -1.880922828633798e-09 ] [ -5.535456137799169e-10 3.758494063994545e-09 -2.92449223927345e-09 ] [ -8.290237017426068e-10 -6.57771368622171e-10 3.846353424437665e-10 ] [ -3.891426818439983e-09 2.895410330340999e-10 -1.458584745514042e-10 ] [ 1.819066954963924e-09 -3.907405806532207e-09 -2.724719720343816e-09 ] [ 5.029520003394635e-09 9.316626608596207e-10 4.020787840544672e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -33.508764 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.368695827270469e-18 } }