{ "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" [ [ 2.528767 2.719521 3.332257 ] [ 2.679869 4.813542 3.129006 ] [ 6.091314 2.864553 1.221181 ] [ 3.782186 2.699172 1.048642 ] [ 4.900359 1.620716 3.350029 ] [ 4.704911 4.540373 1.710823 ] [ 4.562967 3.751533 4.052534 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.528767e-10 2.719521e-10 3.332257e-10 ] [ 2.679869e-10 4.813542e-10 3.129006e-10 ] [ 6.091314e-10 2.864553e-10 1.221181e-10 ] [ 3.782186e-10 2.699172e-10 1.048642e-10 ] [ 4.900359e-10 1.620716e-10 3.350029e-10 ] [ 4.704911e-10 4.540373e-10 1.710823e-10 ] [ 4.562967000000001e-10 3.751533e-10 4.052534e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.5417687 -5.8761871 -0.4160041 ] [ -0.0625374 5.2737649 -0.9630777 ] [ 2.4224048 -2.65698 0.5710093 ] [ -3.0943547 -4.4902222 -0.0130991 ] [ -0.2142349 -0.7417657 -2.7330142 ] [ 0.0603077 6.2515355 1.9236091 ] [ 1.4301832 2.2398545 1.6305767 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.680091521725557e-10 -9.414689668632222e-09 -6.665120486681993e-10 ] [ -1.001959610311116e-10 8.449502895989345e-09 -1.543020587666462e-09 ] [ 3.881120368649442e-09 -4.25695127300532e-09 9.148577582566962e-10 ] [ -4.957702797648079e-09 -7.194129090308074e-09 -2.09870719464294e-11 ] [ -3.432421509673266e-10 -1.188439672442654e-09 -4.378771491630202e-09 ] [ 9.66235877902818e-11 1.001606410472151e-08 3.081961552969769e-09 ] [ 2.291406105379349e-09 3.588642543459753e-09 2.612471888684827e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.529152 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.128915101623436e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5724311 2.4907998 3.4004616 ] [ 2.6920607 4.8849261 3.0035346 ] [ 6.0749429 2.8103418 1.4786103 ] [ 3.6671455 2.6405223 1.189853 ] [ 4.8423375 1.5045453 3.1154611 ] [ 4.7552666 4.8648377 1.6819344 ] [ 4.6461887 3.813437 3.974617 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5724311e-10 2.4907998e-10 3.4004616e-10 ] [ 2.6920607e-10 4.884926100000001e-10 3.0035346e-10 ] [ 6.0749429e-10 2.8103418e-10 1.4786103e-10 ] [ 3.6671455e-10 2.6405223e-10 1.189853e-10 ] [ 4.8423375e-10 1.5045453e-10 3.1154611e-10 ] [ 4.7552666e-10 4.8648377e-10 1.6819344e-10 ] [ 4.6461887e-10 3.813437e-10 3.974617e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.34e-05 -1.51e-05 -1.13e-05 ] [ 5e-06 2.31e-05 -8.1e-06 ] [ 1.4e-06 1.71e-05 4.8e-06 ] [ -8.8e-06 6.7e-06 -1.72e-05 ] [ -1.2e-05 -2.1e-06 2.34e-05 ] [ -2.27e-05 -3.08e-05 2.82e-05 ] [ 2.36e-05 1.1e-06 -1.98e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.14691668956e-14 -2.41928671734e-14 -1.81045959642e-14 ] [ 8.010883169999999e-15 3.70102802454e-14 -1.29776307354e-14 ] [ 2.2430472876e-15 2.73972204414e-14 7.690447843199998e-15 ] [ -1.40991543792e-14 1.07345834478e-14 -2.75574381048e-14 ] [ -1.9226119608e-14 -3.364570931399999e-15 3.749093323559999e-14 ] [ -3.636940959179999e-14 -4.93470403272e-14 4.51813810788e-14 ] [ 3.78113685624e-14 1.7623942974e-15 -3.17230973532e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.032609 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.53001313258581e-18 } }