{ "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" [ [ 2.819728 1.352428 1.364201 ] [ 2.130711 2.142985 3.535598 ] [ 2.900765 3.536828 2.247591 ] [ 4.867849 2.542824 1.805581 ] [ 4.180951 2.552465 4.619841 ] [ 3.604443 0.2919785 5.062878 ] [ 4.799237 0.5958561 3.34882 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.819728e-10 1.352428e-10 1.364201e-10 ] [ 2.130711e-10 2.142985e-10 3.535598e-10 ] [ 2.900765e-10 3.536828e-10 2.247591e-10 ] [ 4.867849e-10 2.542824e-10 1.805581e-10 ] [ 4.180951e-10 2.552465e-10 4.619841e-10 ] [ 3.604443e-10 2.919785e-11 5.062878e-10 ] [ 4.799237e-10 5.958561e-11 3.34882e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.1988969 1.5565982 2.4305938 ] [ -1.6920231 -7.0974305 6.1653741 ] [ 2.3709225 4.9395857 -4.6178317 ] [ -0.0017065 -2.1613425 0.9104575 ] [ -0.7012393 -1.0877552 -2.1687148 ] [ -4.7503135 1.4016907 2.7147935 ] [ 3.5754628 2.4486537 -5.4346725 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.920844583929595e-09 2.493945244019363e-09 3.894240561021431e-09 ] [ -2.71091985267354e-09 -1.137133721485285e-08 9.878018241505842e-09 ] [ 3.798636599228688e-09 7.914088724978003e-09 -7.398581988529119e-09 ] [ -2.7341144033952e-12 -3.462852423041424e-09 1.458713720732016e-09 ] [ -1.123509212046158e-09 -1.742775950593628e-09 -3.474664149742948e-09 ] [ -7.61084123117062e-09 2.245756069132787e-09 4.349578675999804e-09 ] [ 5.728522906700106e-09 3.923175710575417e-09 -8.707305221204687e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -27.271271 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.369339281570104e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.002692 1.1826494 1.8471013 ] [ 2.0808277 2.1641862 3.7927581 ] [ 2.7715468 3.5335957 2.0496372 ] [ 4.9004254 2.6485796 2.0890005 ] [ 4.3453691 2.5124917 4.3838393 ] [ 3.2907467 0.4170607 4.7278921 ] [ 4.9120763 0.5568013 3.0942816 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.002692e-10 1.1826494e-10 1.8471013e-10 ] [ 2.0808277e-10 2.1641862e-10 3.7927581e-10 ] [ 2.7715468e-10 3.5335957e-10 2.0496372e-10 ] [ 4.900425399999999e-10 2.6485796e-10 2.0890005e-10 ] [ 4.3453691e-10 2.5124917e-10 4.3838393e-10 ] [ 3.2907467e-10 4.170607e-11 4.7278921e-10 ] [ 4.9120763e-10 5.568013000000001e-11 3.0942816e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.41e-05 1.5e-05 4.29e-05 ] [ 5.17e-05 2.88e-05 -3.75e-05 ] [ -4.6e-06 -2.37e-05 5.08e-05 ] [ -3.27e-05 -1e-07 3.84e-05 ] [ -7.75e-05 -7.01e-05 -8.42e-05 ] [ 1.98e-05 5.78e-05 2.25e-05 ] [ -2.07e-05 -7.6e-06 -3.29e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.0269952139328e-13 2.4032649312e-14 6.873337703232e-14 ] [ 8.283253129536002e-14 4.614268667904e-14 -6.008162327999999e-14 ] [ -7.370012455680001e-15 -3.797158591296e-14 8.139057233664001e-14 ] [ -5.239117550016001e-14 -1.6021766208e-16 6.152358223872e-14 ] [ -1.24168688112e-13 -1.1231258111808e-13 -1.3490327147136e-13 ] [ 3.172309709184e-14 9.260580868224001e-14 3.604897396800001e-14 ] [ -3.316505605055999e-14 -1.217654231808e-14 -5.271161082432e-14 ] ] } "relaxed-potential-energy" { "source-value" -30.311325 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.856409626047056e-18 } }