{ "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" [ [ 1.302275 0.3737398 2.647818 ] [ 0.2826825 1.480501 1.727575 ] [ 0.6414777 2.53008 2.452953 ] [ 2.763361 0.4669357 0.177905 ] [ 2.062003 2.101671 0.3497139 ] [ 2.601995 2.989286 1.853157 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.302275e-10 3.737398e-11 2.647818e-10 ] [ 2.826825e-11 1.480501e-10 1.727575e-10 ] [ 6.414777000000001e-11 2.53008e-10 2.452953e-10 ] [ 2.763361e-10 4.669357e-11 1.77905e-11 ] [ 2.062003e-10 2.101671e-10 3.497139e-11 ] [ 2.601995e-10 2.989286e-10 1.853157e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 10.5153117 -12.7794544 7.5322107 ] [ -17.2468094 -12.7792936 -22.8341283 ] [ 2.2257468 24.3877689 16.530806 ] [ 3.9737418 -10.5501826 0.0183677 ] [ -6.6512174 6.2165464 -8.2148477 ] [ 7.1832264 5.5046153 6.9675915 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.68473865661647e-08 -2.047494306625969e-08 1.20679318864796e-08 ] [ -2.763243480407367e-08 -2.047468543625907e-08 -3.658430651860765e-08 ] [ 3.566039486780414e-09 3.907351316505334e-08 2.648527089618036e-08 ] [ 6.366636209055709e-09 -1.690325590689096e-08 2.942829951786816e-11 ] [ -1.065642501813816e-08 9.960005304198406e-09 -1.316163692837265e-08 ] [ 1.150879739999335e-08 8.819365940157978e-09 1.11633122045848e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 14.252241269509321 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.283460775600875e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.7020406 0.6422301 2.8652918 ] [ 0.189216 0.9039466 1.0597474 ] [ 0.7234088 2.7577535 2.4363904 ] [ 2.4945225 0.556317 0.6333184 ] [ 1.515891 2.6718411 0.2044152 ] [ 3.0287153 2.4101252 2.0099589 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7020406e-10 6.422301e-11 2.8652918e-10 ] [ 1.89216e-11 9.039466000000001e-11 1.0597474e-10 ] [ 7.234088e-11 2.7577535e-10 2.4363904e-10 ] [ 2.4945225e-10 5.56317e-11 6.333183999999999e-11 ] [ 1.515891e-10 2.6718411e-10 2.044152e-11 ] [ 3.0287153e-10 2.4101252e-10 2.0099589e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1e-05 -6.8e-06 3.3e-06 ] [ 6.2e-06 -1.96e-05 -5e-07 ] [ 1.61e-05 1.08e-05 -4e-07 ] [ -1.21e-05 -1.02e-05 -1.43e-05 ] [ 6.3e-06 4.8e-06 5.4e-06 ] [ -6.6e-06 2.1e-05 6.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.6021766208e-14 -1.089480102144e-14 5.28718284864e-15 ] [ 9.93349504896e-15 -3.140266176767999e-14 -8.010883104e-16 ] [ 2.579504359488e-14 1.730350750464e-14 -6.408706483200001e-16 ] [ -1.938633711168e-14 -1.634220153216e-14 -2.291112567744e-14 ] [ 1.009371271104e-14 7.69044777984e-15 8.65175375232e-15 ] [ -1.057436569728e-14 3.36457090368e-14 1.057436569728e-14 ] ] } "relaxed-potential-energy" { "source-value" -8.32264193049068 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.333434232432195e-18 } }