{ "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" [ 5.47613 0 0 ] "si-unit" "m" "si-value" [ 5.476130000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0968569 5.44973 0 ] "si-unit" "m" "si-value" [ -9.68569e-12 5.44973e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0334568 0.0277585 5.60527 ] "si-unit" "m" "si-value" [ -3.34568e-12 2.77585e-12 5.60527e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.000509808 0.0158858 0.00549688 ] [ 1.34999 1.33014 1.19729 ] [ 0.0276425 2.69054 2.64154 ] [ 1.36667 4.13087 4.06954 ] [ 2.77416 0.0351576 2.5647 ] [ 4.07457 1.31666 4.03649 ] [ 2.84869 2.60665 0.046702 ] [ 4.10529 4.27129 1.35792 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.098080000000001e-14 1.58858e-12 5.49688e-13 ] [ 1.34999e-10 1.33014e-10 1.19729e-10 ] [ 2.76425e-12 2.69054e-10 2.64154e-10 ] [ 1.36667e-10 4.13087e-10 4.06954e-10 ] [ 2.77416e-10 3.51576e-12 2.5647e-10 ] [ 4.07457e-10 1.31666e-10 4.03649e-10 ] [ 2.84869e-10 2.60665e-10 4.6702e-12 ] [ 4.10529e-10 4.27129e-10 1.35792e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.7939986 1.8245396 -21.796034 ] [ 3.1314797 2.2840985 14.0169263 ] [ -1.8470431 1.3789518 -1.9753992 ] [ 0.0542514 0.4635692 3.1624497 ] [ -11.0324076 7.2253672 5.889093 ] [ 2.6843969 0.3542065 3.1558375 ] [ 5.1288294 8.1519929 -5.6813929 ] [ -0.9135053 -21.6827257 3.2285196 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.476479272348712e-09 2.923234714927706e-09 -3.492109638866955e-08 ] [ 5.017183605185329e-09 3.659529246454448e-09 2.245759179836007e-08 ] [ -2.959289296810925e-09 2.209324353372241e-09 -3.164938441062293e-09 ] [ 8.69203254417876e-11 7.427197404820727e-10 5.066803015540309e-09 ] [ -1.767586567348402e-08 1.157631449991e-08 9.43536720005296e-09 ] [ 4.300877989562034e-09 5.675013779109209e-10 5.056209103200974e-09 ] [ 8.217290624452238e-09 1.30609325449139e-08 -9.102594952953496e-09 ] [ -1.46359684669516e-09 -3.473955647797129e-08 5.172658665531026e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -32.184955 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.156598286734147e-18 } }