{ "property-id" "tag:brunnels@noreply.openkim.org,2016-02-18:property/grain-boundary-symmetric-tilt-energy-relaxed-relation-cubic-crystal" "instance-id" 1 "a" { "source-value" 3.140962809324265 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.140962809324265e-10 } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "minimum-atom-separation" { "source-value" [ 2.7611665501054 2.59863302579349 2.60408026744718 2.61090169091112 2.62994680835662 2.6232415270261 2.60763303775393 2.64901393770203 2.62901208958556 2.60323372945548 2.59517471224457 2.67523094419525 2.57610055219064 2.60858080967044 2.60201621817642 2.64179130144508 2.62286976237972 2.5955237154922 2.58924908822703 2.60360041563421 2.60676673509735 2.51276553447216 2.69197680924554 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.7611665501054e-10 2.59863302579349e-10 2.60408026744718e-10 2.61090169091112e-10 2.62994680835662e-10 2.6232415270261e-10 2.60763303775393e-10 2.6490139377020297e-10 2.6290120895855604e-10 2.60323372945548e-10 2.59517471224457e-10 2.6752309441952503e-10 2.5761005521906404e-10 2.6085808096704403e-10 2.60201621817642e-10 2.64179130144508e-10 2.62286976237972e-10 2.5955237154922e-10 2.5892490882270297e-10 2.60360041563421e-10 2.60676673509735e-10 2.51276553447216e-10 2.69197680924554e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ -2.73011027260953 0.8873589640747155 0.9182954969489483 0.7962563438116126 -1.4410494132605731 -1.9941550243435258 1.2298011174284085 -2.6160812163831912 1.2507438616688031 -0.2516390014789566 0.5623587783130474 -0.6705538754946747 0.6665948882029692 -1.9425741847800482 0.7413921747855825 -0.6472586339565913 0.4643118472383739 -0.6289751178851143 0.17792632225211694 0.16434943322037376 0.10273816489747478 0.14540240015857356 -0.014627798582224839 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ -2.73011027260953 0.8873589640747155 0.9182954969489483 0.7962563438116126 -1.4410494132605731 -1.9941550243435258 1.2298011174284085 -2.6160812163831912 1.2507438616688031 -0.2516390014789566 0.5623587783130474 -0.6705538754946747 0.6665948882029692 -1.9425741847800482 0.7413921747855825 -0.6472586339565913 0.4643118472383739 -0.6289751178851143 0.17792632225211694 0.16434943322037376 0.10273816489747478 0.14540240015857356 -0.014627798582224839 ] } "short-name" { "source-value" [ "bcc" ] } "sigma" { "source-value" [ 1 1 25 9 25 17 53 9 73 7 29 5 1 17 89 13 37 25 41 15 85 113 1 ] } "species" { "source-value" [ "Mo" "Mo" "Mo" "Mo" ] } "tilt-angle" { "source-value" [ 0.0 14.250032697803595 16.26020470831196 18.924644416051233 22.619864948040426 28.072486935852957 31.890791801845708 36.86989764584402 41.112090439166934 43.60281897270362 46.39718102729638 53.13010235415598 59.48976259388444 61.92751306414704 64.01076641616699 67.38013505195957 71.07535558394876 73.73979529168804 77.31961650818018 79.61114218453038 81.20258929000894 82.3718503314193 90.0 ] "source-unit" "degrees" "si-unit" "radian" "si-value" [ 0.0 0.24870998909352293 0.2837941092083279 0.3302973548292537 0.3947911196997616 0.4899573262537284 0.5565993180102228 0.6435011087932845 0.7175413405411447 0.7610127542247299 0.809783572570167 0.9272952180016124 1.038292228493046 1.0808390005411685 1.117198630687125 1.1760052070951352 1.2404989719656432 1.287002217586569 1.3494818844471055 1.3894765523934065 1.417252544255341 1.4376599992432493 1.570796326794897 ] } "tilt-axis" { "source-value" [ 0 0 1 ] } }