{ "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" [ [ 1.175063 2.090387 1.108777 ] [ 2.290473 2.943113 3.7458 ] [ 1.562387 4.346014 1.227002 ] [ 3.205072 1.346551 2.036178 ] [ 4.414518 1.768723 4.119804 ] [ 3.44377 3.554925 2.238453 ] [ 4.008705 3.851776 5.027783 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.175063e-10 2.090387e-10 1.108777e-10 ] [ 2.290473e-10 2.943113e-10 3.7458e-10 ] [ 1.562387e-10 4.346014000000001e-10 1.227002e-10 ] [ 3.205072e-10 1.346551e-10 2.036178e-10 ] [ 4.414518e-10 1.768723e-10 4.119804e-10 ] [ 3.44377e-10 3.554925e-10 2.238453e-10 ] [ 4.008705e-10 3.851776e-10 5.027783000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.508365 -1.1546696 -0.9776112 ] [ -2.3116569 -0.6310986 2.9468135 ] [ -0.1810669 0.0060242 0.1979942 ] [ -0.0045945 -0.9904398 -0.417694 ] [ 0.916674 -2.1318808 1.4261638 ] [ 3.0227006 4.2478861 -3.8520256 ] [ 0.0663087 0.6541785 0.6763593 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.41666715854341e-09 -1.849984653110126e-09 -1.566305821776701e-09 ] [ -3.703682671004875e-09 -1.011131430670112e-09 4.721315734455759e-09 ] [ -2.901011563708146e-10 9.651832478542799e-12 3.172216809075228e-10 ] [ -7.361200544912998e-12 -1.586859504943633e-09 -6.692195669619959e-10 ] [ 1.468673663795316e-09 -3.415649604233226e-09 2.284966316616649e-09 ] [ 4.842900272897779e-09 6.805863853313386e-09 -6.17162540988983e-09 ] [ 1.062382497709158e-10 1.048109507165169e-09 1.083647066648596e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.554448005765543 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.652314978360545e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.4609166 1.8488475 1.7716481 ] [ 1.6774429 2.9297421 3.9078646 ] [ 1.7322724 4.2157515 1.8776343 ] [ 3.7463944 1.6345634 1.7911948 ] [ 3.6024158 1.5000325 4.0783068 ] [ 4.0067589 3.9056178 1.8928731 ] [ 3.873787 3.8669342 4.1842754 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.4609166e-10 1.8488475e-10 1.7716481e-10 ] [ 1.6774429e-10 2.9297421e-10 3.9078646e-10 ] [ 1.7322724e-10 4.2157515e-10 1.8776343e-10 ] [ 3.7463944e-10 1.6345634e-10 1.7911948e-10 ] [ 3.6024158e-10 1.5000325e-10 4.0783068e-10 ] [ 4.006758900000001e-10 3.9056178e-10 1.8928731e-10 ] [ 3.873787e-10 3.8669342e-10 4.1842754e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -6.7e-06 -1.32e-05 6.5e-06 ] [ 1.6e-06 3e-07 -1.2e-06 ] [ -1e-07 -3.6e-06 -6.9e-06 ] [ -1.11e-05 -2e-07 -5e-07 ] [ -3.2e-06 -1.29e-05 -6.3e-06 ] [ 1.72e-05 1.77e-05 -2.6e-06 ] [ 2.2e-06 1.2e-05 1.11e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.07345834478e-14 -2.11487315688e-14 1.0414148121e-14 ] [ 2.5634826144e-15 4.806529901999999e-16 -1.9226119608e-15 ] [ -1.602176634e-16 -5.767835882399999e-15 -1.10550187746e-14 ] [ -1.77841606374e-14 -3.204353268e-16 -8.010883169999999e-16 ] [ -5.1269652288e-15 -2.06680785786e-14 -1.00937127942e-14 ] [ 2.75574381048e-14 2.83585264218e-14 -4.165659248399999e-15 ] [ 3.5247885948e-15 1.9226119608e-14 1.77841606374e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.808943005765546 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.333960226207528e-18 } }