{ "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" [ [ 2.872972 1.012553 2.780557 ] [ 2.489863 2.81954 0.4602746 ] [ 1.064652 2.650766 2.601591 ] [ 2.280466 2.401905 4.700098 ] [ 2.677321 4.010574 3.508674 ] [ 4.446125 3.093023 2.174548 ] [ 4.337554 1.939772 4.152011 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.872972e-10 1.012553e-10 2.780557e-10 ] [ 2.489863e-10 2.81954e-10 4.602746e-11 ] [ 1.064652e-10 2.650766e-10 2.601591e-10 ] [ 2.280466e-10 2.401905e-10 4.700098e-10 ] [ 2.677321e-10 4.010574e-10 3.508674e-10 ] [ 4.446125000000001e-10 3.093023e-10 2.174548e-10 ] [ 4.337554e-10 1.939772e-10 4.152011e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.7479042 -0.8562128 -6.4731019 ] [ 1.2735193 -1.8739575 6.0841301 ] [ -2.5065308 -0.5208616 -4.7657537 ] [ -3.2914271 -1.3539472 7.2729669 ] [ 2.753534 3.9899452 -0.5904067 ] [ -1.4183474 -0.0477725 -3.8319244 ] [ 3.9371561 0.6628064 2.3040897 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.198274633710463e-09 -1.371804141891715e-09 -1.0371052613681e-08 ] [ 2.040402865408036e-09 -3.002410919609055e-09 9.747851084436083e-09 ] [ -4.015905080161328e-09 -8.345122850678544e-10 -7.635579221539045e-09 ] [ -5.27344759213438e-09 -2.169262567509724e-09 1.165257762703541e-08 ] [ 4.411647835724556e-09 6.392596970380456e-09 -9.459358192970476e-10 ] [ -2.272443063174652e-09 -7.653998324776499e-11 -6.13941973693447e-09 ] [ 6.308019507830567e-09 1.061932926945658e-09 3.691558679980069e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -21.64577 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.468034691893818e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.9093601 1.0864645 2.581765 ] [ 2.4811216 2.9967922 0.9264114 ] [ 0.825477 2.5777599 2.66146 ] [ 2.0108804 2.135807 4.7415169 ] [ 2.8531975 4.0358617 3.2404525 ] [ 4.6897719 2.8137777 1.9341399 ] [ 4.3991445 2.2816702 4.2920079 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.9093601e-10 1.0864645e-10 2.581765e-10 ] [ 2.4811216e-10 2.9967922e-10 9.264114e-11 ] [ 8.25477e-11 2.5777599e-10 2.66146e-10 ] [ 2.0108804e-10 2.135807e-10 4.741516899999999e-10 ] [ 2.8531975e-10 4.0358617e-10 3.2404525e-10 ] [ 4.689771900000001e-10 2.8137777e-10 1.9341399e-10 ] [ 4.399144500000001e-10 2.2816702e-10 4.2920079e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.25e-05 -2.81e-05 -3.79e-05 ] [ 2.79e-05 -4.36e-05 5.71e-05 ] [ 4.62e-05 6.37e-05 1.7e-05 ] [ 5.4e-06 1.1e-06 -2e-05 ] [ 1.63e-05 -5.67e-05 -4.45e-05 ] [ -9.5e-05 4.46e-05 5.57e-05 ] [ -1.32e-05 1.89e-05 -2.74e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.0027207925e-14 -4.50211634154e-14 -6.072249442859999e-14 ] [ 4.470072808859999e-14 -6.985490124239999e-14 9.148428580139999e-14 ] [ 7.40205604908e-14 1.020586515858e-13 2.723700277799999e-14 ] [ 8.6517538236e-15 1.7623942974e-15 -3.204353268e-14 ] [ 2.61154791342e-14 -9.08434151478e-14 -7.129686021299999e-14 ] [ -1.5220678023e-13 7.145707787639999e-14 8.924123851379999e-14 ] [ -2.11487315688e-14 3.02811383826e-14 -4.389963977159999e-14 ] ] } "relaxed-potential-energy" { "source-value" -26.557231 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.254937497194045e-18 } }