{ "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" [ [ 1.180741 1.807495 3.286589 ] [ 1.505757 3.902776 3.777072 ] [ 3.192251 2.03593 2.264645 ] [ 4.9286 1.191695 3.764737 ] [ 3.540921 2.872007 4.34408 ] [ 3.412542 4.892248 3.711531 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.180741e-10 1.807495e-10 3.286589e-10 ] [ 1.505757e-10 3.902776e-10 3.777072e-10 ] [ 3.192251e-10 2.03593e-10 2.264645e-10 ] [ 4.928600000000001e-10 1.191695e-10 3.764737e-10 ] [ 3.540921e-10 2.872007e-10 4.34408e-10 ] [ 3.412542e-10 4.892248000000001e-10 3.711531e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.0247973 -6.2358691 -1.3105 ] [ -10.080985 5.9291187 0.0183218 ] [ 2.7113574 -2.9333196 -9.1852473 ] [ 0.7308581 -1.4020032 -2.3786196 ] [ 8.5967439 -3.0303941 16.7165405 ] [ 4.0668228 7.6724674 -3.8604954 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.652789379118965e-09 -9.99096368238914e-09 -2.0996524615584e-09 ] [ -1.615151848163549e-08 9.49949536308809e-09 2.935475961097344e-11 ] [ 4.344073436913074e-09 -4.699696084454407e-09 -1.471638848032632e-08 ] [ 1.170963760942308e-09 -2.246256749326786e-09 -3.810968712896648e-09 ] [ 1.377350209158501e-08 -4.855226578830257e-09 2.678285036975635e-08 ] [ 6.515768411096395e-09 1.229264789213016e-08 -6.185195474585945e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 0.071153614 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.140006568362276e-20 } "relaxed-configuration-positions" { "source-value" [ [ 1.285836 1.5617913 3.1948175 ] [ 1.5749733 4.6338901 3.4702564 ] [ 2.9624249 0.8528883 2.2520462 ] [ 4.8934818 1.7117742 3.2546628 ] [ 3.531491 2.8127429 4.7728404 ] [ 3.512605 5.1290643 4.2040307 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.285836e-10 1.5617913e-10 3.1948175e-10 ] [ 1.5749733e-10 4.633890100000001e-10 3.4702564e-10 ] [ 2.9624249e-10 8.528883000000001e-11 2.2520462e-10 ] [ 4.8934818e-10 1.7117742e-10 3.2546628e-10 ] [ 3.531491e-10 2.8127429e-10 4.7728404e-10 ] [ 3.512605e-10 5.1290643e-10 4.2040307e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.32e-05 -1.18e-05 -1.66e-05 ] [ 1.57e-05 1.69e-05 3.18e-05 ] [ -1.58e-05 2.25e-05 -1.2e-06 ] [ 5.63e-05 1.55e-05 2.74e-05 ] [ 7.7e-06 5.97e-05 -8.5e-06 ] [ -2.07e-05 -0.0001028 -3.28e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.921403001856e-14 -1.890568412544e-14 -2.659613190528e-14 ] [ 2.515417294656e-14 2.707678489152e-14 5.094921654144e-14 ] [ -2.531439060864e-14 3.604897396800001e-14 -1.92261194496e-15 ] [ 9.020254375104e-14 2.48337376224e-14 4.389963940992e-14 ] [ 1.233675998016e-14 9.564994426176e-14 -1.36185012768e-14 ] [ -3.316505605055999e-14 -1.6470375661824e-13 -5.255139316223999e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.531301 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.969041721520766e-18 } }