{ "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" [ [ -0.21614899999999998 -0.6434712999999999 1.1524322999999999 ] [ 0.41390949999999993 -0.9949828999999999 -2.0600816999999996 ] [ -0.21905119999999997 0.3552177999999999 1.8863781999999998 ] [ -0.5879722999999999 0.34355009999999997 -0.36152129999999993 ] [ -0.38210849999999996 -1.9495881999999998 -1.5942636999999997 ] [ 1.5682692999999999 1.9184064999999997 1.0944744999999998 ] [ -0.05799459999999999 -0.9052928999999998 0.46360189999999996 ] [ -0.5189031999999999 1.8761609999999997 -0.5810201999999999 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.463088744092992e-10 -1.030954673015783e-09 1.846400088114772e-09 ] [ 6.631561240270176e-10 -1.594138340475784e-09 -3.300614736677919e-09 ] [ -3.509587113981849e-10 5.691216544520101e-10 3.022311050026787e-09 ] [ -9.420354727380037e-10 5.504279382935021e-10 -5.792209747812229e-10 ] [ -6.122053053089568e-10 -3.123584634227554e-09 -2.554292027530104e-09 ] [ 2.512644407578381e-09 3.073626043490755e-09 1.753541455961769e-09 ] [ -9.291759225264768e-11 -1.450439119356232e-09 7.427721255384595e-10 ] [ -8.313745754983064e-10 3.005941291056749e-09 -9.3089698065254e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -23.102565 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.701438952351235e-18 } }