{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.024908 1.18877 2.927879 ] [ 1.938594 2.418534 4.826435 ] [ 2.412467 3.694527 2.059811 ] [ 3.090256 4.25078 4.272664 ] [ 3.913894 1.726388 1.808826 ] [ 4.03064 2.069757 3.989682 ] [ 4.599294 3.851686 2.39416 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.024908e-10 1.18877e-10 2.927879e-10 ] [ 1.938594e-10 2.418534e-10 4.826435e-10 ] [ 2.412467e-10 3.694527e-10 2.059811e-10 ] [ 3.090256e-10 4.25078e-10 4.272664e-10 ] [ 3.913894e-10 1.726388e-10 1.808826e-10 ] [ 4.03064e-10 2.069757e-10 3.989682e-10 ] [ 4.599294e-10 3.851686e-10 2.39416e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.5880885 0.0846157 -0.3562505 ] [ -1.067008 -0.3073853 1.005242 ] [ -1.4142354 -0.3346321 -0.5011836 ] [ 0.4299712 0.7468774 -0.4607468 ] [ 0.2689274 -0.1841271 -1.6786888 ] [ 1.3234119 -0.4015677 1.5102295 ] [ 1.0470213 0.3962191 0.4813982 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.42221653424109e-10 1.355692974095538e-10 -5.70776226950817e-10 ] [ -1.709535285891072e-09 -4.924855452950801e-10 1.610575243915428e-09 ] [ -2.265854912855643e-09 -5.361397316063514e-10 -8.029846532640023e-10 ] [ 6.888898099329406e-10 1.196629518742672e-09 -7.381977571502712e-10 ] [ 4.308691965223715e-10 -2.950041373061814e-10 -2.689555971117499e-09 ] [ 2.120339623337544e-09 -6.433823859091217e-10 2.419654416877503e-09 ] [ 1.677513062160304e-09 6.348129839645093e-10 7.712849476896587e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -20.39894 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.268270502636796e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.6047279 1.5739333 2.7631314 ] [ 2.3869443 2.2782973 4.8999553 ] [ 2.3728811 3.6145523 1.7770905 ] [ 2.6271909 4.4696505 3.9975889 ] [ 3.8312039 1.6535163 1.8896693 ] [ 4.6001403 1.8165835 4.1498955 ] [ 4.5869645 3.7939089 2.802126 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.6047279e-10 1.5739333e-10 2.7631314e-10 ] [ 2.3869443e-10 2.2782973e-10 4.8999553e-10 ] [ 2.3728811e-10 3.6145523e-10 1.7770905e-10 ] [ 2.6271909e-10 4.4696505e-10 3.9975889e-10 ] [ 3.8312039e-10 1.6535163e-10 1.8896693e-10 ] [ 4.6001403e-10 1.8165835e-10 4.1498955e-10 ] [ 4.5869645e-10 3.7939089e-10 2.802126e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -6.8e-06 -6.2e-06 2.8e-06 ] [ -1.7e-06 5.9e-06 5e-07 ] [ 1.9e-06 7.5e-06 4.4e-06 ] [ -1.5e-06 -9.1e-06 -6.1e-06 ] [ 4e-06 -1e-07 3.5e-06 ] [ 5e-07 -1e-07 -6.8e-06 ] [ 3.6e-06 2.1e-06 1.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.08948011112e-14 -9.9334951308e-15 4.486094575199999e-15 ] [ -2.7237002778e-15 9.452842140600001e-15 8.010883169999999e-16 ] [ 3.0441356046e-15 1.2016324755e-14 7.0495771896e-15 ] [ -2.403264951e-15 -1.45798073694e-14 -9.773277467399999e-15 ] [ 6.408706535999999e-15 -1.602176634e-16 5.607618218999999e-15 ] [ 8.010883169999999e-16 -1.602176634e-16 -1.08948011112e-14 ] [ 5.767835882399999e-15 3.364570931399999e-15 2.7237002778e-15 ] ] } "relaxed-potential-energy" { "source-value" -21.541441 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.451319343288959e-18 } }