{ "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" [ [ 0.0900209 0.6645307 1.771827 ] [ 2.257627 0.9336486 1.950206 ] [ 2.208369 3.070111 3.037465 ] [ 1.738494 0.324563 4.412062 ] [ 4.235476 0.6031948 3.631674 ] [ 3.30736 2.214082 5.333714 ] [ 4.556657 2.857436 3.382282 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.002090000000001e-12 6.645307e-11 1.771827e-10 ] [ 2.257627e-10 9.336486e-11 1.950206e-10 ] [ 2.208369e-10 3.070111e-10 3.037465e-10 ] [ 1.738494e-10 3.24563e-11 4.412062e-10 ] [ 4.235476000000001e-10 6.031948e-11 3.631674e-10 ] [ 3.30736e-10 2.214082e-10 5.333714e-10 ] [ 4.556657000000001e-10 2.857436e-10 3.382282e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.8644198 -0.4525605 -0.3518762 ] [ 1.5669562 0.02596 1.3738532 ] [ 0.6739722 -0.1946599 0.6314328 ] [ 1.8297512 0.8959019 -0.5981499 ] [ -1.5908587 -1.427071 -0.0403711 ] [ -1.2547824 -0.499365 -0.7492216 ] [ 0.6393812 1.6517946 -0.2656671 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.987129839526953e-09 -7.250818585713569e-10 -5.637678257007107e-10 ] [ 2.51054061014143e-09 4.159250541864e-11 2.201155495586129e-09 ] [ 1.079822510805575e-09 -3.118795433567766e-10 1.011666878101195e-09 ] [ 2.931584618673461e-09 1.435393090536205e-09 -9.583417934094366e-10 ] [ -2.548836637135616e-09 -2.286419811259013e-09 -6.46816331088774e-11 ] [ -2.010383042034441e-09 -8.000709348374098e-10 -1.200385341208095e-09 ] [ 1.024401618858881e-09 2.646466712287376e-09 -4.256456200425413e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -19.45753 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.117439992135402e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.1626727 0.6503257 1.497617 ] [ 2.0121853 0.8519527 2.2541173 ] [ 2.4452399 3.0982576 2.9536416 ] [ 2.0500156 0.1503511 4.5766251 ] [ 4.1846953 0.6541509 3.4991147 ] [ 3.0923257 2.2557053 5.1834646 ] [ 4.7722147 3.0068227 3.5546497 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.626727e-11 6.503257e-11 1.497617e-10 ] [ 2.0121853e-10 8.519527000000001e-11 2.2541173e-10 ] [ 2.4452399e-10 3.0982576e-10 2.9536416e-10 ] [ 2.0500156e-10 1.503511e-11 4.5766251e-10 ] [ 4.1846953e-10 6.541509e-11 3.4991147e-10 ] [ 3.0923257e-10 2.2557053e-10 5.1834646e-10 ] [ 4.772214700000001e-10 3.0068227e-10 3.5546497e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0001156 -0.000332 -0.0004428 ] [ 0.0001408 0.0004144 0.0002269 ] [ 0.0009776 -0.0012778 0.0008038 ] [ -0.0003354 9.55e-05 2.5e-05 ] [ -0.0003732 0.0013677 -0.0005188 ] [ 0.0004293 0.0004957 4.81e-05 ] [ -0.0007236 -0.0007635 -0.0001423 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.852116188904e-13 -5.319226424879999e-13 -7.094438135351999e-13 ] [ 2.255864700672e-13 6.639419971295999e-13 3.635338782546e-13 ] [ 1.5662878773984e-12 -2.0472613029252e-12 1.2878295784092e-12 ] [ -5.373700430436e-13 1.53007868547e-13 4.005441585e-14 ] [ -5.979323198088e-13 2.1912969823218e-12 -8.312092377191999e-13 ] [ 6.878144289762e-13 7.941989574737998e-13 7.706469609539999e-14 ] [ -1.1593350123624e-12 -1.223261860059e-12 -2.279897350181999e-13 ] ] } "relaxed-potential-energy" { "source-value" -20.452534 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.276857208089055e-18 } }