{ "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" [ [ 0.1854996 0.4736791 1.206297 ] [ 0.6742688 0.1009159 2.297624 ] [ 0.6067687 1.83215 2.754335 ] [ 0.1838578 2.712055 1.507331 ] [ 1.981528 1.354685 0.3328332 ] [ 2.901733 2.736996 1.329123 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.854996e-11 4.736791e-11 1.206297e-10 ] [ 6.742688e-11 1.009159e-11 2.297624e-10 ] [ 6.067687000000001e-11 1.83215e-10 2.754335e-10 ] [ 1.838578e-11 2.712055e-10 1.507331e-10 ] [ 1.981528e-10 1.354685e-10 3.328332e-11 ] [ 2.901733e-10 2.736996e-10 1.329123e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -48.8443716 24.9196711 -110.6502423 ] [ 46.0321768 -57.0130279 99.286106 ] [ 12.3527565 3.1261233 46.4175009 ] [ -11.938821 27.8616189 -32.8944011 ] [ -2.1024206 -5.2426558 -6.3919291 ] [ 4.5006799 6.3482705 4.2329656 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.825731087993319e-08 3.992571476338507e-08 -1.772812327594984e-07 ] [ 7.375167808111689e-08 -9.134494113497008e-08 1.590738791140472e-07 ] [ 1.979129782979162e-08 5.008601706262972e-09 7.436903535065398e-08 ] [ -1.912810004370851e-08 4.463923478699278e-08 -5.27026408318439e-08 ] [ -3.368449160160259e-09 -8.399660622864576e-09 -1.024099945020465e-08 ] [ 7.210884172893455e-09 1.01710506614115e-08 6.781958576845789e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 44.275493 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 7.093716034343056e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.6550544 1.0434451 0.9485772 ] [ 0.6097856 -0.140739 3.0127438 ] [ -0.7831539 1.5463555 3.950056 ] [ -0.7378631 2.7305492 1.8858974 ] [ 2.4766074 1.3651421 -0.4102166 ] [ 4.3132255 2.665728 0.0404853 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.550544e-11 1.0434451e-10 9.485772e-11 ] [ 6.097856e-11 -1.40739e-11 3.0127438e-10 ] [ -7.831539e-11 1.5463555e-10 3.950056e-10 ] [ -7.378631e-11 2.7305492e-10 1.8858974e-10 ] [ 2.4766074e-10 1.3651421e-10 -4.102166e-11 ] [ 4.3132255e-10 2.665728e-10 4.04853e-12 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.55e-05 -1.53e-05 8.6e-06 ] [ -2.6e-06 7e-07 -4.8e-06 ] [ 1.09e-05 -0.0 4.1e-06 ] [ -2.45e-05 9.9e-06 7.8e-06 ] [ 5.64e-05 1.4e-05 -3.5e-06 ] [ -4.6e-06 -9.3e-06 -1.23e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.6877270507e-14 -2.45133025002e-14 1.37787190524e-14 ] [ -4.165659248399999e-15 1.1215236438e-15 -7.690447843199998e-15 ] [ 1.74637253106e-14 0.0 6.568924199399999e-15 ] [ -3.925332753299999e-14 1.58615486766e-14 1.24969777452e-14 ] [ 9.03627621576e-14 2.243047287599999e-14 -5.607618218999999e-15 ] [ -7.370012516399999e-15 -1.49002426962e-14 -1.97067725982e-14 ] ] } "relaxed-potential-energy" { "source-value" -13.969375 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.238140621658375e-18 } }