{ "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" [ [ 2.1688 2.788884 1.320769 ] [ 2.532136 2.630615 3.81334 ] [ 3.448306 1.022917 2.319133 ] [ 4.871015 2.854538 3.444822 ] [ 3.148673 5.011898 0.914954 ] [ 4.462028 3.106005 1.382629 ] [ 3.536809 5.003724 3.350012 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1688e-10 2.788884e-10 1.320769e-10 ] [ 2.532136e-10 2.630615e-10 3.813340000000001e-10 ] [ 3.448306e-10 1.022917e-10 2.319133e-10 ] [ 4.871015e-10 2.854538e-10 3.444822e-10 ] [ 3.148673e-10 5.011898e-10 9.149540000000001e-11 ] [ 4.462028e-10 3.106005e-10 1.382629e-10 ] [ 3.536809e-10 5.003724e-10 3.350012e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.6293738 -0.1296721 -0.0299131 ] [ -0.2097975 0.5037169 -0.0409626 ] [ 0.2599053 0.7983556 0.0526332 ] [ 0.0253533 -0.020959 2.3143607 ] [ -0.0823261 -0.4343129 0.9035748 ] [ 0.5334707 0.0522996 -2.9713976 ] [ 0.1027681 -0.7694281 -0.2282953 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.008367988104055e-09 -2.077576069900397e-10 -4.792606947565249e-11 ] [ -3.36132649602288e-10 8.070434406818517e-10 -6.562932004718209e-11 ] [ 4.164141952820103e-10 1.279106677404756e-09 8.432768251789056e-11 ] [ 4.062046452012864e-11 -3.35800197953472e-11 3.708014605638322e-09 ] [ -1.319009527016429e-10 -6.958459744918484e-10 1.447686419704036e-09 ] [ 8.547142834218105e-10 8.379319639719168e-11 -4.760703765821231e-09 ] [ 1.646526471840365e-10 -1.232759713206565e-09 -3.657693922985223e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -20.333265 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.257748180753091e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0953634 2.7583959 1.3148265 ] [ 2.3873596 2.7978077 3.7204342 ] [ 3.5785953 1.2284122 2.3806952 ] [ 4.8540229 2.9526938 3.4185085 ] [ 3.2029417 4.8647824 1.1772921 ] [ 4.5620616 2.9133023 1.0129019 ] [ 3.4874225 4.9031869 3.5210006 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0953634e-10 2.7583959e-10 1.3148265e-10 ] [ 2.3873596e-10 2.7978077e-10 3.7204342e-10 ] [ 3.5785953e-10 1.2284122e-10 2.3806952e-10 ] [ 4.854022900000001e-10 2.9526938e-10 3.4185085e-10 ] [ 3.2029417e-10 4.864782400000001e-10 1.1772921e-10 ] [ 4.5620616e-10 2.9133023e-10 1.0129019e-10 ] [ 3.4874225e-10 4.9031869e-10 3.5210006e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.89e-05 2.4e-05 2.02e-05 ] [ -3.38e-05 6.9e-06 2.6e-06 ] [ -5.5e-06 -8.2e-06 6e-06 ] [ 1.68e-05 3.43e-05 -1.19e-05 ] [ 1.51e-05 -2.24e-05 1.84e-05 ] [ -1e-06 -1.27e-05 -4.37e-05 ] [ -2.05e-05 -2.18e-05 8.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.630290434112001e-14 3.84522388992e-14 3.236396774016e-14 ] [ -5.415356978304e-14 1.105501868352e-14 4.16565921408e-15 ] [ -8.8119714144e-15 -1.313784829056e-14 9.6130597248e-15 ] [ 2.691656722944e-14 5.495465809344e-14 -1.906590178752e-14 ] [ 2.419286697408e-14 -3.588875630592e-14 2.948004982272e-14 ] [ -1.6021766208e-15 -2.034764308416e-14 -7.001511832895999e-14 ] [ -3.28446207264e-14 -3.492745033344e-14 1.345828361472e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.43874 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.434864800740979e-18 } }