{ "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" [ [ -0.19966729999999996 -0.5439467999999998 1.2784027999999998 ] [ 0.6194335999999999 -1.0552012999999998 -2.1946591999999994 ] [ -0.44820619999999994 0.39514949999999993 1.9949302999999998 ] [ -0.7282798999999999 0.34898679999999993 -0.42690159999999994 ] [ -0.6673609999999999 -2.3361759999999996 -1.8211485999999997 ] [ 1.8107745999999998 1.9835638999999998 1.3036621999999998 ] [ 0.10125239999999999 -0.8711882999999999 0.5908024999999999 ] [ -0.48794609999999994 2.0788122999999996 -0.7250883999999999 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.199022799982598e-10 -8.714988459189732e-10 2.048227078125258e-09 ] [ 9.924420320579787e-10 -1.690618853097767e-09 -3.51623166086363e-09 ] [ -7.181054949376089e-10 6.330992906208094e-10 3.19623068678553e-09 ] [ -1.166833029178562e-09 5.591384919278054e-10 -6.839717629021132e-10 ] [ -1.069230191833709e-09 -3.74296656927406e-09 -2.917801709922651e-09 ] [ 2.901180729658471e-09 3.178019706442869e-09 2.088697098260693e-09 ] [ 1.622242280798899e-10 -1.395797526574497e-09 9.465699530101919e-10 ] [ -7.817758336305387e-10 3.330624466091475e-09 -1.161719682493279e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.22928403877592 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.760435608004938e-18 } }