{ "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" [ 5.39006 0 0 ] "si-unit" "m" "si-value" [ 5.39006e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.23331 5.36322 0 ] "si-unit" "m" "si-value" [ 2.3331e-11 5.36322e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.160148 -0.0213292 5.4933 ] "si-unit" "m" "si-value" [ -1.60148e-11 -2.13292e-12 5.4933e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.105355 0.0424721 -0.0304949 ] [ 1.33629 1.36991 1.45967 ] [ -0.05353 2.71357 2.83859 ] [ 1.26119 4.17265 4.20892 ] [ 2.69817 -0.0783338 2.63037 ] [ 3.99124 1.24872 4.05842 ] [ 2.76699 2.61469 0.0747626 ] [ 4.02836 3.96527 1.47431 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.05355e-11 4.24721e-12 -3.04949e-12 ] [ 1.33629e-10 1.36991e-10 1.45967e-10 ] [ -5.353e-12 2.71357e-10 2.83859e-10 ] [ 1.26119e-10 4.17265e-10 4.20892e-10 ] [ 2.69817e-10 -7.83338e-12 2.63037e-10 ] [ 3.99124e-10 1.24872e-10 4.05842e-10 ] [ 2.76699e-10 2.61469e-10 7.47626e-12 ] [ 4.02836e-10 3.96527e-10 1.47431e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.0852598 -0.2187444 2.5356609 ] [ 0.0284822 0.0755025 -0.6911824 ] [ 0.7432155 -0.2459222 0.2255066 ] [ 4.2082184 -2.1030675 -2.1913772 ] [ -3.2728138 0.3050902 3.5154569 ] [ -0.8014951 1.1919938 0.9795979 ] [ -0.6258579 0.6496098 -1.6182711 ] [ 2.8055105 0.3455378 -2.7553916 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.943131120654084e-09 -3.504671636109235e-10 4.062576612256686e-09 ] [ 4.563351494894976e-11 1.20968340311952e-10 -1.107396281988434e-09 ] [ 1.190762498316183e-09 -3.940107993757017e-10 3.613014023560973e-10 ] [ 6.742309135700383e-09 -3.369485580464304e-09 -3.510973317194166e-09 ] [ -5.243625754591608e-09 4.888083856751961e-10 5.632382856610044e-09 ] [ -1.284136710905758e-09 1.909784598498551e-09 1.569488853164776e-09 ] [ -1.002734895322984e-09 1.040789634202564e-09 -2.592756122536299e-09 ] [ 4.494923332508918e-09 5.536125847626662e-10 -4.414624002668705e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.044494 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.614746897456588e-18 } }