{ "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" [ [ 0.8784497 0.4697805 1.02237 ] [ 0.3714623 2.027429 0.7033507 ] [ 0.1687176 1.823848 2.813644 ] [ 2.523837 0.1233038 2.780688 ] [ 2.720424 2.179791 0.2128499 ] [ 1.955613 2.373981 2.741889 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.784497e-11 4.697805e-11 1.02237e-10 ] [ 3.714623e-11 2.027429e-10 7.033507e-11 ] [ 1.687176e-11 1.823848e-10 2.813644e-10 ] [ 2.523837e-10 1.233038e-11 2.780688e-10 ] [ 2.720424e-10 2.179791e-10 2.128499e-11 ] [ 1.955613e-10 2.373981e-10 2.741889e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 14.2837706 -33.6410321 -5.6194896 ] [ -5.7649249 23.6070005 -9.238503 ] [ -16.2370089 6.469714 16.0650399 ] [ -3.1662079 6.8828103 -2.3483621 ] [ -1.9590682 0.0622721 0.2746896 ] [ 12.8434393 -3.3807649 0.8666252 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.288512331219039e-08 -5.389887513020233e-08 -9.003414857948743e-09 ] [ -9.236427895447778e-09 3.782258428831392e-08 -1.480171351779066e-08 ] [ -2.601455605130153e-08 1.036562451406245e-08 2.573903133999917e-08 ] [ -5.072824273972264e-09 1.102747774806143e-08 -3.762490853792792e-09 ] [ -3.138773268592739e-09 9.977090274811968e-11 4.401012550969037e-10 ] [ 2.057745817712392e-08 -5.41658248320125e-09 1.388486634436124e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 0.9541976 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.52879308634347e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.8781564 0.0174981 1.1209528 ] [ 1.2763593 2.0614856 0.5145059 ] [ 0.9784919 2.8426693 2.5660588 ] [ 1.9691543 -0.4244982 3.2820465 ] [ 1.1503696 3.0312137 -1.4597459 ] [ 1.365972 1.4697648 4.2509736 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8781564e-10 1.74981e-12 1.1209528e-10 ] [ 1.2763593e-10 2.0614856e-10 5.145059e-11 ] [ 9.784919e-11 2.8426693e-10 2.5660588e-10 ] [ 1.9691543e-10 -4.244982e-11 3.2820465e-10 ] [ 1.1503696e-10 3.0312137e-10 -1.4597459e-10 ] [ 1.365972e-10 1.4697648e-10 4.2509736e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0116018 0.0202067 -0.0801242 ] [ 0.034164 0.0343425 -0.0451914 ] [ -0.0195996 0.0454896 -0.0680996 ] [ -0.0175206 0.0395628 0.1070993 ] [ -0.0146635 -0.0321852 0.0537969 ] [ 0.0292215 -0.1074165 0.032519 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.858813271919744e-11 3.237470232351937e-11 -1.283731200003034e-10 ] [ 5.47367620730112e-11 5.5022750599824e-11 -7.240460454122113e-11 ] [ -3.140202089703168e-11 7.288237360954369e-11 -1.091075870058317e-10 ] [ -2.807109570238848e-11 6.338659321338625e-11 1.715919945640454e-10 ] [ -2.34935168791008e-11 -5.156637497577216e-11 8.619213545151553e-11 ] [ 4.68180041247072e-11 -1.721002049881632e-10 5.21011815317952e-11 ] ] } "relaxed-potential-energy" { "source-value" -13.752488 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.203391475143255e-18 } }