{ "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" [ [ 1.009597 0.3628337 1.078601 ] [ 0.0352367 0.1167127 2.680629 ] [ 0.3335965 1.756245 2.167544 ] [ 2.066416 0.0072977 2.832654 ] [ 2.311694 1.962933 1.086024 ] [ 2.552148 1.611374 2.965257 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.009597e-10 3.628337e-11 1.078601e-10 ] [ 3.52367e-12 1.167127e-11 2.680629e-10 ] [ 3.335965e-11 1.756245e-10 2.167544e-10 ] [ 2.066416e-10 7.2977e-13 2.832654e-10 ] [ 2.311694e-10 1.962933e-10 1.086024e-10 ] [ 2.552148e-10 1.611374e-10 2.965257e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.2129799 -13.1517335 -26.1394617 ] [ -17.1990635 -15.5915284 11.84532 ] [ -16.4783694 26.4625124 1.0097494 ] [ 10.9217506 -27.0981679 11.8532376 ] [ 7.9629284 10.900487 -13.6943722 ] [ 17.0057337 18.4784305 15.1255268 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.545584658080322e-09 -2.107139993669216e-08 -4.188003441603702e-08 ] [ -2.755593743935463e-08 -2.498038228501923e-08 1.897829476989466e-08 ] [ -2.640125820158612e-08 4.23976186949101e-08 1.617796881546828e-09 ] [ 1.749857346952837e-08 -4.341605107589304e-08 1.89909801635075e-08 ] [ 1.275801771558435e-08 1.746450542673433e-08 -2.194080297537346e-08 ] [ 2.724618895369068e-08 2.960570933617766e-08 2.423376541624383e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 12.800475 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.050862178013488e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.4233261 -0.1478749 0.7057522 ] [ -0.1764321 0.1336667 2.5317031 ] [ 0.3257091 2.3581142 2.6285501 ] [ 2.1542237 -0.4137601 3.0225922 ] [ 1.9255071 2.0765622 0.8026315 ] [ 2.6563544 1.810688 3.1194799 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.4233261e-10 -1.478749e-11 7.057522000000001e-11 ] [ -1.764321e-11 1.336667e-11 2.5317031e-10 ] [ 3.257091e-11 2.3581142e-10 2.6285501e-10 ] [ 2.1542237e-10 -4.137601e-11 3.0225922e-10 ] [ 1.9255071e-10 2.0765622e-10 8.026315000000001e-11 ] [ 2.6563544e-10 1.810688e-10 3.1194799e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.6e-05 -1.11e-05 2.7e-05 ] [ 1.68e-05 1.13e-05 -1.41e-05 ] [ -1.82e-05 1.55e-05 1.95e-05 ] [ -1.9e-05 3e-07 -1.94e-05 ] [ -1.49e-05 -4.9e-06 -2.3e-06 ] [ 9.3e-06 -1.1e-05 -1.07e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.16565921408e-14 -1.778416049088e-14 4.32587687616e-14 ] [ 2.691656722944e-14 1.810459581504e-14 -2.259069035328e-14 ] [ -2.915961449856e-14 2.48337376224e-14 3.12424441056e-14 ] [ -3.04413557952e-14 4.8065298624e-16 -3.108222644352e-14 ] [ -2.387243164992e-14 -7.850665441919999e-15 -3.68500622784e-15 ] [ 1.490024257344e-14 -1.76239428288e-14 -1.714328984256e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.567729 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.853354495955016e-18 } }