{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.816977 2.980856 2.674074 ] [ 1.919186 2.00454 4.634036 ] [ 0.9862405 4.087254 4.422598 ] [ 4.092598 2.125916 2.093906 ] [ 4.150721 2.426451 4.257829 ] [ 3.183229 4.446818 3.622817 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.816977e-10 2.980856e-10 2.674074e-10 ] [ 1.919186e-10 2.00454e-10 4.634036e-10 ] [ 9.862405e-11 4.087254e-10 4.422598e-10 ] [ 4.092598e-10 2.125916e-10 2.093906e-10 ] [ 4.150721e-10 2.426451e-10 4.257829e-10 ] [ 3.183229e-10 4.446818000000001e-10 3.622817e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.4538842 -1.8840173 -8.0280777 ] [ -0.699752 -5.1748768 3.7573498 ] [ -3.3419728 3.2326133 3.0528067 ] [ 0.0349332 -0.664955 -1.5778009 ] [ 2.8545196 -0.7740796 2.7181207 ] [ 3.6061562 5.2653154 0.0776013 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.931555895390511e-09 -3.01852847124274e-09 -1.286239840090584e-08 ] [ -1.121126294758042e-09 -8.291066624480317e-09 6.019938005727556e-09 ] [ -5.354430687509514e-09 5.179217453347137e-09 4.891135522561599e-09 ] [ 5.596915632973056e-11 -1.065375354884064e-09 -2.527915714257199e-09 ] [ 4.573444566735369e-09 -1.240212237758216e-09 4.354909438052531e-09 ] [ 5.777699154592969e-09 8.4359652350182e-09 1.24330988603687e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -8.8333125 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.41525267717204e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9315717 2.8543256 2.190913 ] [ 1.7858137 1.9111705 4.3957514 ] [ 1.3363871 4.0965938 4.9933645 ] [ 4.0466114 1.9273967 2.2417042 ] [ 4.0613299 2.6813986 4.42493 ] [ 2.9872376 4.6009498 3.4585969 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9315717e-10 2.8543256e-10 2.190913e-10 ] [ 1.7858137e-10 1.9111705e-10 4.3957514e-10 ] [ 1.3363871e-10 4.0965938e-10 4.993364500000001e-10 ] [ 4.0466114e-10 1.9273967e-10 2.2417042e-10 ] [ 4.0613299e-10 2.6813986e-10 4.42493e-10 ] [ 2.9872376e-10 4.600949800000001e-10 3.4585969e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.15e-05 2.87e-05 3.24e-05 ] [ 1.4e-05 4.6e-06 -3.12e-05 ] [ 3.38e-05 -3.87e-05 -3.73e-05 ] [ -3.8e-06 -1.31e-05 5.8e-05 ] [ -9.5e-06 1.34e-05 -2.41e-05 ] [ -3.1e-06 5.2e-06 2.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.04685635552e-14 4.598246901696e-14 5.191052251392001e-14 ] [ 2.24304726912e-14 7.370012455680001e-15 -4.998791056896e-14 ] [ 5.415356978304e-14 -6.200423522496e-14 -5.976118795584e-14 ] [ -6.08827115904e-15 -2.098851373248e-14 9.29262440064e-14 ] [ -1.52206778976e-14 2.146916671872e-14 -3.861245656128e-14 ] [ -4.96674752448e-15 8.33131842816e-15 3.36457090368e-15 ] ] } "relaxed-potential-energy" { "source-value" -11.370459 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.821748357756495e-18 } }