{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.3527209 0.4565602 1.167471 ] [ 0.6414148 2.926013 0.4472085 ] [ 0.2560781 2.125953 2.651252 ] [ 2.793307 0.1807352 2.367537 ] [ 2.546309 2.149048 0.8335699 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.527209e-11 4.565602e-11 1.167471e-10 ] [ 6.414148e-11 2.926013000000001e-10 4.472085e-11 ] [ 2.560781e-11 2.125953e-10 2.651252e-10 ] [ 2.793307e-10 1.807352e-11 2.367537e-10 ] [ 2.546309e-10 2.149048e-10 8.335699e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.6798369 -10.323159 -5.4140568 ] [ -18.2582143 10.7325511 -6.7198254 ] [ -2.1263182 6.8068255 9.8708572 ] [ -0.9470397 -0.1401377 -0.4318075 ] [ 20.6517353 -7.0760799 2.6948324 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.089218796110995e-09 -1.65395241388668e-08 -8.674275300108811e-09 ] [ -2.925288433002466e-08 1.7195442595631e-08 -1.07663472404397e-08 ] [ -3.406737336488939e-09 1.090573676781537e-08 1.581485676339066e-08 ] [ -1.51732487881037e-09 -2.245253484825018e-10 -6.918318868859549e-10 ] [ 3.308772774921298e-08 -1.133712987609706e-08 4.317597503826141e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.8052371 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.570972177244992e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.6260794 0.495976 1.3393932 ] [ 0.6687221 3.1650443 0.6696631 ] [ -0.5368079 2.2879584 2.7985951 ] [ 2.9929821 0.0812506 2.2978403 ] [ 2.8388542 1.8080801 0.3615468 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.260794e-11 4.95976e-11 1.3393932e-10 ] [ 6.687221000000001e-11 3.1650443e-10 6.696630999999999e-11 ] [ -5.368079e-11 2.2879584e-10 2.7985951e-10 ] [ 2.9929821e-10 8.12506e-12 2.2978403e-10 ] [ 2.8388542e-10 1.8080801e-10 3.615468e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.26e-05 -4.09e-05 2.88e-05 ] [ -6.54e-05 3.18e-05 -2.11e-05 ] [ 5.9e-06 3.01e-05 2e-07 ] [ -2.76e-05 -6e-06 -5.66e-05 ] [ 5.46e-05 -1.5e-05 4.87e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.22309582684e-14 -6.552902433059999e-14 4.614268705919999e-14 ] [ -1.047823518636e-13 5.09492169612e-14 -3.38059269774e-14 ] [ 9.452842140600001e-15 4.82255166834e-14 3.204353268e-16 ] [ -4.42200750984e-14 -9.613059803999999e-15 -9.06831974844e-14 ] [ 8.74788442164e-14 -2.403264951e-14 7.802600207579999e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.638041 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.505490389173399e-18 } }