{ "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" [ [ -0.20390419999999998 -0.6680164999999999 1.3325996999999998 ] [ 0.7009148999999999 -1.4906671999999999 -2.6697457999999994 ] [ -0.2750736999999999 0.5975497999999999 2.6925054999999998 ] [ -0.8562127999999999 0.32684939999999996 -0.5102088999999999 ] [ -0.7798070999999999 -2.5577937999999993 -2.2365756999999995 ] [ 2.1946217999999997 2.6627063999999994 1.6252003999999998 ] [ 0.07792719999999999 -1.1270411999999999 0.5773999999999999 ] [ -0.8584661999999998 2.2564132999999997 -0.8111752999999999 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.266905421229273e-10 -1.070280418608643e-09 2.135060084225094e-09 ] [ 1.12298946595037e-09 -2.388312137233397e-09 -4.277404304238992e-09 ] [ -4.407166511369528e-10 9.573803193237158e-10 4.313869363475414e-09 ] [ -1.371804130589706e-09 5.236704672025075e-10 -8.174447713040848e-10 ] [ -1.249388704353848e-09 -4.09803742718719e-09 -3.583389297189394e-09 ] [ 3.516171739458013e-09 4.266125942134533e-09 2.603858084994808e-09 ] [ 1.248531379644057e-10 -1.805719061318377e-09 9.250967808499199e-10 ] [ -1.375414475387017e-09 3.615172636122176e-09 -1.299646101030426e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.969803 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.762997742138171e-18 } }