{ "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" [ [ -0.25083549999999993 -0.7479782999999999 1.4688830999999998 ] [ 0.33258879999999996 -1.1039902999999998 -2.4016197999999997 ] [ -0.21879019999999996 0.37722819999999996 2.0509899999999996 ] [ -0.7416151999999999 0.37047659999999993 -0.39931589999999995 ] [ -0.17161299999999996 -2.2378261999999998 -1.7697526999999997 ] [ 1.6617767999999997 2.0357821999999994 1.1269808999999997 ] [ -0.041765899999999995 -1.0170652999999998 0.5536950999999999 ] [ -0.5697458999999999 2.3233732999999996 -0.6298606999999999 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.018827770777069e-10 -1.198393354999042e-09 2.353410180897484e-09 ] [ 5.328660040900991e-10 -1.76878746282265e-09 -3.847819127311753e-09 ] [ -3.505405461881867e-10 6.043862077258787e-10 3.286048254567659e-09 ] [ -1.188198544859237e-09 5.935689519637642e-10 -6.397746045646804e-10 ] [ -2.749543386906419e-10 -3.58539284859301e-09 -2.835456423898411e-09 ] [ 2.66245995988329e-09 3.261682672753113e-09 1.80562246494429e-09 ] [ -6.691634907798058e-11 -1.6295182589122e-09 8.871173515802931e-10 ] [ -9.128335682973004e-10 3.722454413319471e-09 -1.009148096214884e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.774558292303475 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.571498475359957e-18 } }