{ "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" [ 5.42446 0 0 ] "si-unit" "m" "si-value" [ 5.42446e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00225581 5.46076 0 ] "si-unit" "m" "si-value" [ -2.25581e-13 5.46076e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0117255 0.0343157 5.56103 ] "si-unit" "m" "si-value" [ -1.17255e-12 3.43157e-12 5.56103e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0182071 0.00139191 0.0164222 ] [ 1.32892 1.32964 1.49498 ] [ -0.00509802 2.67752 2.7579 ] [ 1.15566 4.0451 4.18086 ] [ 2.64397 0.106198 2.73506 ] [ 4.03699 1.34406 4.11378 ] [ 2.695 2.72586 0.109097 ] [ 4.00933 4.13019 1.43696 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.82071e-12 1.39191e-13 1.64222e-12 ] [ 1.32892e-10 1.32964e-10 1.49498e-10 ] [ -5.098020000000001e-13 2.67752e-10 2.7579e-10 ] [ 1.15566e-10 4.0451e-10 4.18086e-10 ] [ 2.64397e-10 1.06198e-11 2.73506e-10 ] [ 4.036990000000001e-10 1.34406e-10 4.11378e-10 ] [ 2.695e-10 2.72586e-10 1.09097e-11 ] [ 4.009330000000001e-10 4.13019e-10 1.43696e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.3338337 -0.1883336 0.2438718 ] [ -0.4380322 1.2977578 -2.6075085 ] [ -1.6868449 0.6172192 0.3562899 ] [ 2.3251689 0.2354213 0.6818692 ] [ 1.10415 -2.492905 1.7210998 ] [ -0.0184945 0.9216943 1.2396229 ] [ -0.6525428 -0.4531693 -1.337878 ] [ 0.7004292 0.0623152 -0.2973671 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.137037170175161e-09 -3.017436908310989e-10 3.907256964324134e-10 ] [ -7.018049499975897e-10 2.079237206620842e-09 -4.177689157237277e-09 ] [ -2.702623461695714e-09 9.888941721488794e-10 5.708393480071699e-10 ] [ 3.725331250991254e-09 3.77186502898343e-10 1.092474890683599e-09 ] [ 1.76904331585632e-09 -3.994074108875424e-09 2.757505861623556e-09 ] [ -2.96314555133856e-11 1.476717058984622e-09 1.986094828988296e-09 ] [ -1.04548881823137e-09 -7.260572577243015e-10 -2.143516853082662e-09 ] [ 1.122211288765647e-09 9.983995656047617e-11 -4.764346154150957e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.377224 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.668056120160466e-18 } }