{ "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" [ 5.35419 0 0 ] "si-unit" "m" "si-value" [ 5.35419e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.128546 5.3923 0 ] "si-unit" "m" "si-value" [ 1.28546e-11 5.3923e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0752915 -0.0875116 5.49588 ] "si-unit" "m" "si-value" [ 7.52915e-12 -8.75116e-12 5.495879999999999e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.00225511 0.0160353 -0.067451 ] [ 1.37153 1.32836 1.3623 ] [ 0.0305896 2.71279 2.89841 ] [ 1.38735 4.02786 4.05412 ] [ 2.7178 -0.0621827 2.7228 ] [ 3.99586 1.31169 4.14487 ] [ 2.78113 2.65016 0.11239 ] [ 4.13075 3.95144 1.3393 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.25511e-13 1.60353e-12 -6.7451e-12 ] [ 1.37153e-10 1.32836e-10 1.3623e-10 ] [ 3.05896e-12 2.71279e-10 2.89841e-10 ] [ 1.38735e-10 4.027860000000001e-10 4.05412e-10 ] [ 2.7178e-10 -6.21827e-12 2.7228e-10 ] [ 3.99586e-10 1.31169e-10 4.14487e-10 ] [ 2.78113e-10 2.65016e-10 1.1239e-11 ] [ 4.13075e-10 3.95144e-10 1.3393e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.9749397999999997 0.4037793999999999 1.0958134999999996 ] [ -0.4930612999999998 -0.02743689999999999 0.6755926999999998 ] [ -0.2360906999999999 -1.0305582999999996 -1.7211839999999994 ] [ 2.169157199999999 -0.5371445999999998 0.9569474999999996 ] [ -0.4695892999999998 0.10001149999999998 0.018869199999999992 ] [ 0.9451375999999997 -0.7768280999999998 -0.3453885999999999 ] [ -1.7602447999999993 0.8595322999999997 -1.1392649999999995 ] [ 0.8196311999999998 1.0086445999999996 0.4586146999999998 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.562025767116633e-09 6.469259199705393e-10 1.755686784921758e-09 ] [ -7.899712939896638e-10 -4.395876008939458e-11 1.082418838040971e-09 ] [ -3.782590030447036e-10 -1.651136428234761e-09 -2.757640787614655e-09 ] [ 3.475372981312863e-09 -8.606005271992759e-10 1.533198924464714e-09 ] [ -7.523650040364158e-10 1.602360884312909e-10 3.023179134227279e-11 ] [ 1.514277378634838e-09 -1.244615830454615e-09 -5.533735445699722e-10 ] [ -2.820223088680002e-09 1.377122567228278e-09 -1.825303762934009e-09 ] [ 1.31319395713738e-09 1.616026810130276e-09 7.347817563489194e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -36.203729 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.800476866746819e-18 } }