{ "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" [ 5.46847 0 0 ] "si-unit" "m" "si-value" [ 5.46847e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0752926 5.44594 0 ] "si-unit" "m" "si-value" [ 7.52926e-12 5.44594e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.00412544 0.201844 5.40303 ] "si-unit" "m" "si-value" [ 4.12544e-13 2.01844e-11 5.40303e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.00347607 -0.00350605 -0.096896 ] [ 1.33363 1.43287 1.45525 ] [ -0.0378093 2.6958 2.61111 ] [ 1.37012 4.12622 4.01894 ] [ 2.67267 0.0858706 2.76525 ] [ 3.9434 1.3374 3.96298 ] [ 2.74102 2.68949 -0.0467586 ] [ 4.13757 3.9786 1.32692 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.47607e-13 -3.50605e-13 -9.6896e-12 ] [ 1.33363e-10 1.43287e-10 1.45525e-10 ] [ -3.78093e-12 2.6958e-10 2.61111e-10 ] [ 1.37012e-10 4.12622e-10 4.01894e-10 ] [ 2.67267e-10 8.58706e-12 2.76525e-10 ] [ 3.9434e-10 1.3374e-10 3.96298e-10 ] [ 2.74102e-10 2.68949e-10 -4.67586e-12 ] [ 4.137570000000001e-10 3.9786e-10 1.32692e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.18264469999999997 -0.8245160999999999 1.2235893999999998 ] [ 0.8706858999999999 -1.5278223999999998 -2.9519426999999996 ] [ -0.31732239999999995 0.5501210999999999 2.9000411999999995 ] [ -0.7068778999999998 0.49050629999999995 -0.3431180999999999 ] [ -1.1248377999999999 -2.8614605999999996 -2.4247559999999995 ] [ 2.4523693999999994 3.0731484999999994 2.0642368999999996 ] [ -0.18706689999999998 -1.3604174999999998 0.5884361999999999 ] [ -0.8043053999999998 2.4604407999999998 -1.0564867999999998 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.926290682530297e-10 -1.321020418893195e-09 1.960406330138699e-09 ] [ 1.394992593040207e-09 -2.447841330014546e-09 -4.729533579881227e-09 ] [ -5.084065305361459e-10 8.813911650287788e-10 4.646378209996777e-09 ] [ -1.1325432451402e-09 7.85877726215111e-10 -5.497357979933163e-10 ] [ -1.802188825352106e-09 -4.58456527466034e-09 -3.884887374344524e-09 ] [ 3.929128918245323e-09 4.923726678946588e-09 3.307272100972667e-09 ] [ -2.997142137055315e-10 -2.179629113027184e-09 9.427787224723928e-10 ] [ -1.288639307863192e-09 3.942060726622448e-09 -1.692678451143805e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.848612 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.743580803453034e-18 } }