{ "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" [ [ -0.42850249999999995 -0.7889305999999999 0.8937295999999999 ] [ 0.5179966999999999 -0.6683717999999998 -1.7154790999999998 ] [ -0.17156099999999996 0.06735809999999998 1.6667797999999998 ] [ -0.19087739999999997 0.5770504999999999 -0.48884189999999994 ] [ -0.6248695999999999 -1.5770472999999998 -1.0967687999999998 ] [ 1.5366871999999998 1.9788816999999999 0.7540004999999999 ] [ -0.19094229999999998 -1.0617901999999997 0.46928309999999995 ] [ -0.44793109999999997 1.4728494999999997 -0.48270339999999995 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.86536687454352e-10 -1.264006162753716e-09 1.431912670436935e-09 ] [ 8.299222023915512e-10 -1.070849671962013e-09 -2.748500507491025e-09 ] [ -2.748710232410687e-10 1.079195730415084e-10 2.6704756275817e-09 ] [ -3.058193077190899e-10 9.245368201209502e-10 -7.832110634474514e-10 ] [ -1.001151464168648e-09 -2.526708313955763e-09 -1.757217329782871e-09 ] [ 2.462044305322613e-09 3.170517995068959e-09 1.20804197317151e-09 ] [ -3.059232889817798e-10 -1.701175434634556e-09 7.518744113565484e-10 ] [ -7.176647361492269e-10 2.359765034856969e-09 -7.733761022606706e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -36.860253 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.905663559337306e-18 } }