{ "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" [ 5.44335 0 0 ] "si-unit" "m" "si-value" [ 5.44335e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0871492 5.32556 0 ] "si-unit" "m" "si-value" [ 8.71492e-12 5.32556e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0678412 -0.0738369 5.55618 ] "si-unit" "m" "si-value" [ 6.784120000000001e-12 -7.38369e-12 5.556180000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0586252 0.00658789 -0.0562217 ] [ 1.37481 1.15024 1.36711 ] [ 0.0858543 2.81471 2.72056 ] [ 1.52563 4.03682 4.13778 ] [ 2.84739 -0.239071 2.58831 ] [ 4.11503 1.39706 3.91123 ] [ 2.74645 2.72703 -0.0478687 ] [ 4.08136 4.16337 1.33715 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.86252e-12 6.58789e-13 -5.62217e-12 ] [ 1.37481e-10 1.15024e-10 1.36711e-10 ] [ 8.58543e-12 2.81471e-10 2.72056e-10 ] [ 1.52563e-10 4.03682e-10 4.13778e-10 ] [ 2.84739e-10 -2.39071e-11 2.58831e-10 ] [ 4.11503e-10 1.39706e-10 3.91123e-10 ] [ 2.74645e-10 2.72703e-10 -4.786870000000001e-12 ] [ 4.08136e-10 4.16337e-10 1.33715e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.24474429999999997 1.6408472999999997 -1.2681459999999993 ] [ 0.17030899999999996 2.0671848999999995 -0.2853268999999999 ] [ 0.41130989999999995 -0.9070342999999998 -0.6869635999999997 ] [ -0.31606929999999994 -0.9554970999999999 -0.13643869999999994 ] [ -3.9956548999999995 5.206202399999999 4.918555699999998 ] [ 0.20209909999999998 -0.9991416999999999 1.3033446999999994 ] [ -0.22409959999999998 -1.0182802999999998 0.2604098999999999 ] [ 3.9968500999999996 -5.034281099999999 -4.105434999999998 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.921235955340614e-10 2.628927182362803e-09 -2.031793872961036e-09 ] [ 2.728650981118271e-10 3.311995317650786e-09 -4.571440884653393e-10 ] [ 6.589911056835859e-10 -1.453229149723693e-09 -1.100637019260602e-09 ] [ -5.063988430126214e-10 -1.5308751148622e-09 -2.185988953123449e-10 ] [ -6.401744865564961e-09 8.341255768432848e-09 7.880394950642575e-09 ] [ 3.237984531047212e-10 -1.600801472606367e-09 2.088188407183589e-09 ] [ -3.590471398506316e-10 -1.63146489008121e-09 4.172226536048658e-10 ] [ 6.403659787062141e-09 -8.065807480955307e-09 -6.577631975214045e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.687871 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.557609594152632e-18 } }