{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.8594843 0.7172344 0.0157799 ] [ 0.2882733 0.8856534 2.226981 ] [ 1.449769 2.87204 1.321697 ] [ 2.751005 0.6869835 1.2059 ] [ 2.852604 2.214321 2.896583 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.594843e-11 7.172344000000001e-11 1.57799e-12 ] [ 2.882733e-11 8.856534000000001e-11 2.226981e-10 ] [ 1.449769e-10 2.87204e-10 1.321697e-10 ] [ 2.751005e-10 6.869835e-11 1.2059e-10 ] [ 2.852604e-10 2.214321e-10 2.896583e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -15.5091684 -14.487392 -56.6063824 ] [ -25.9269063 1.8257188 40.0955635 ] [ -39.0475852 64.6856407 -7.35023 ] [ 61.3757566 -47.1746428 5.3943016 ] [ 19.1079034 -4.8493247 18.4667473 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.484842722325116e-08 -2.321136094999852e-08 -9.069342321654885e-08 ] [ -4.153948346576739e-08 2.925124001614519e-09 6.424017496676325e-08 ] [ -6.256112862156421e-08 1.036378220848594e-07 -1.177636676052582e-08 ] [ 9.833480311859128e-08 -7.558211041145632e-08 8.642623980268815e-09 ] [ 3.061423635220915e-08 -7.76947472501906e-09 2.958699103004259e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 34.907612 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 5.592816029513801e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.7888082 0.7302573 -0.1463925 ] [ 0.0513683 0.898791 2.707371 ] [ 1.2221494 3.4175062 0.9968776 ] [ 3.4053082 0.2740289 0.9727429 ] [ 2.7335016 2.0556489 3.1363418 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.888082e-11 7.302573e-11 -1.463925e-11 ] [ 5.13683e-12 8.98791e-11 2.707371e-10 ] [ 1.2221494e-10 3.4175062e-10 9.968776e-11 ] [ 3.4053082e-10 2.740289e-11 9.727429e-11 ] [ 2.7335016e-10 2.0556489e-10 3.1363418e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.2e-06 -1.08e-05 3.3e-06 ] [ 1.41e-05 5.02e-05 -3.65e-05 ] [ -3.33e-05 -2.97e-05 2.56e-05 ] [ 1.09e-05 -2.45e-05 -3.24e-05 ] [ 5.1e-06 1.48e-05 4.01e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.1269652288e-15 -1.73035076472e-14 5.2871828922e-15 ] [ 2.25906905394e-14 8.04292670268e-14 -5.847944714099999e-14 ] [ -5.33524819122e-14 -4.75846460298e-14 4.10157218304e-14 ] [ 1.74637253106e-14 -3.925332753299999e-14 -5.19105229416e-14 ] [ 8.1711008334e-15 2.37122141832e-14 6.42472830234e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.133456 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.94399396928671e-18 } }