{ "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" 3.620000004768371 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.620000004768371e-10 } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "minimum-atom-separation" { "source-value" [ 2.47369086271258 2.3110175014917 2.28120158347674 2.28949947379739 2.37942969028953 2.36140818644813 2.27612997540541 2.34293340106306 2.28109581949507 2.29833094049128 2.28616214419389 2.32742226617582 2.29321689102877 2.30412758890883 2.28850095380511 2.31587041204267 2.28327487473385 2.33111797256409 2.33314338008496 2.32250663429481 2.32729076381798 2.33798283692213 2.54740360099856 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.47369086271258e-10 2.3110175014917e-10 2.2812015834767403e-10 2.28949947379739e-10 2.37942969028953e-10 2.3614081864481305e-10 2.27612997540541e-10 2.34293340106306e-10 2.2810958194950701e-10 2.29833094049128e-10 2.2861621441938903e-10 2.32742226617582e-10 2.2932168910287702e-10 2.30412758890883e-10 2.2885009538051102e-10 2.3158704120426702e-10 2.28327487473385e-10 2.33111797256409e-10 2.3331433800849603e-10 2.3225066342948102e-10 2.3272907638179802e-10 2.33798283692213e-10 2.54740360099856e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.013646685980100434 0.7732889666005953 0.8056588309122236 0.8365558209044113 0.8612033361633422 0.8805739505450894 0.8993971883656017 0.8488505491868474 0.934428817651244 0.9394994524293129 0.9596884181799927 0.8920696174506855 0.8942932977218987 0.8538151274054321 0.8556084599061293 0.7870639795449609 0.7555607661902968 0.6826488989864783 0.6084718033666119 0.5513254698276551 0.5101061529288452 0.4531578679548639 0.015442447860618167 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.013646685980100434 0.7732889666005953 0.8056588309122236 0.8365558209044113 0.8612033361633422 0.8805739505450894 0.8993971883656017 0.8488505491868474 0.934428817651244 0.9394994524293129 0.9596884181799927 0.8920696174506855 0.8942932977218987 0.8538151274054321 0.8556084599061293 0.7870639795449609 0.7555607661902968 0.6826488989864783 0.6084718033666119 0.5513254698276551 0.5101061529288452 0.4531578679548639 0.015442447860618167 ] } "short-name" { "source-value" [ "fcc" ] } "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" [ "Cu" "Cu" "Cu" "Cu" ] } "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 ] } }